<?xml version="1.0" encoding="UTF-8"?>
<!--
Created 2022-07-04T19:39:41
-->
<CmcaProject>
  <multipletSet class="de.bruker.nmr.an.cmca1d.CmcaMultipletSet1D" serialization="custom">
    <unserializable-parents/>
    <list>
      <default>
        <size>5</size>
      </default>
      <int>5</int>
      <CmcaMultiplet1D serialization="custom">
        <unserializable-parents/>
        <list>
          <default>
            <size>2</size>
          </default>
          <int>2</int>
          <Peak1D>
            <positions>
              <double>2.487083707178661</double>
            </positions>
            <indices>
              <double>43715.94227145293</double>
            </indices>
            <intensity>-3.5248128E7</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>11</peakID>
          </Peak1D>
          <Peak1D>
            <positions>
              <double>2.408275146699026</double>
            </positions>
            <indices>
              <double>44093.94243500432</double>
            </indices>
            <intensity>2.70293504E8</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>12</peakID>
          </Peak1D>
        </list>
        <PeakGroup>
          <default>
            <isF1Folded>false</isF1Folded>
            <isImpurity>false</isImpurity>
            <manuallyCreated>false</manuallyCreated>
            <meanF1LineWidth>0.0</meanF1LineWidth>
            <meanF1LineWidthError>0.0</meanF1LineWidthError>
            <volume>NaN</volume>
            <atomIndex>
              <int>-1</int>
            </atomIndex>
            <corType>UNDEFINED</corType>
            <delta>
              <double>5.0E-4</double>
            </delta>
            <multipletArea>
              <PhysicalRange>
                <start>2.4879056241199304</start>
                <end>2.407429192418588</end>
                <ref>599.899958245953</ref>
                <unit>ppm</unit>
              </PhysicalRange>
            </multipletArea>
            <name>DMSO_9_m</name>
            <state>UNDEFINED</state>
          </default>
        </PeakGroup>
        <MultipletPeakGroup1D>
          <default>
            <isUnknownMultipletType>true</isUnknownMultipletType>
            <shift>2.4476794269388433</shift>
            <couplingHertzJ>
              <double>47.27725214115678</double>
            </couplingHertzJ>
            <couplingJ>
              <double>0.07880856047963514</double>
            </couplingJ>
            <linkedAtoms>
              <int>8</int>
            </linkedAtoms>
            <multiplicities>
              <int>2</int>
            </multiplicities>
          </default>
        </MultipletPeakGroup1D>
        <CmcaMultiplet1D>
          <default>
            <createdByAutomation>true</createdByAutomation>
            <annotation></annotation>
            <visibilityDisplay>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
            </visibilityDisplay>
            <visibilityHint>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
            </visibilityHint>
          </default>
        </CmcaMultiplet1D>
      </CmcaMultiplet1D>
      <CmcaMultiplet1D serialization="custom">
        <unserializable-parents/>
        <list>
          <default>
            <size>5</size>
          </default>
          <int>5</int>
          <Peak1D>
            <positions>
              <double>2.684718451907667</double>
            </positions>
            <indices>
              <double>42768.0</double>
            </indices>
            <intensity>1.6707354624E10</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>1</peakID>
          </Peak1D>
          <Peak1D>
            <positions>
              <double>2.681591129432226</double>
            </positions>
            <indices>
              <double>42783.0</double>
            </indices>
            <intensity>3.5230777344E10</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>2</peakID>
          </Peak1D>
          <Peak1D>
            <positions>
              <double>2.6784638069567848</double>
            </positions>
            <indices>
              <double>42798.0</double>
            </indices>
            <intensity>4.9393355264E10</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>3</peakID>
          </Peak1D>
          <Peak1D>
            <positions>
              <double>2.6753364844813436</double>
            </positions>
            <indices>
              <double>42813.0</double>
            </indices>
            <intensity>3.4865274368E10</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>4</peakID>
          </Peak1D>
          <Peak1D>
            <positions>
              <double>2.6722091620059043</double>
            </positions>
            <indices>
              <double>42828.0</double>
            </indices>
            <intensity>1.6032500736E10</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>5</peakID>
          </Peak1D>
        </list>
        <PeakGroup>
          <default>
            <isF1Folded>false</isF1Folded>
            <isImpurity>false</isImpurity>
            <manuallyCreated>false</manuallyCreated>
            <meanF1LineWidth>0.0</meanF1LineWidth>
            <meanF1LineWidthError>0.0</meanF1LineWidthError>
            <volume>NaN</volume>
            <atomIndex>
              <int>-1</int>
            </atomIndex>
            <corType>UNDEFINED</corType>
            <delta>
              <double>5.0E-4</double>
            </delta>
            <multipletArea>
              <PhysicalRange>
                <start>2.688054262548137</start>
                <end>2.6692903276954922</end>
                <ref>599.899958245953</ref>
                <unit>ppm</unit>
              </PhysicalRange>
            </multipletArea>
            <name>DMSO</name>
            <state>UNDEFINED</state>
          </default>
        </PeakGroup>
        <MultipletPeakGroup1D>
          <default>
            <isUnknownMultipletType>false</isUnknownMultipletType>
            <shift>2.6784638069567857</shift>
            <couplingHertzJ>
              <double>1.8760806224384912</double>
            </couplingHertzJ>
            <couplingJ>
              <double>0.0031273224754406748</double>
            </couplingJ>
            <linkedAtoms/>
            <multiplicities>
              <int>5</int>
            </multiplicities>
          </default>
        </MultipletPeakGroup1D>
        <CmcaMultiplet1D>
          <default>
            <createdByAutomation>true</createdByAutomation>
            <annotation></annotation>
            <visibilityDisplay>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
            </visibilityDisplay>
            <visibilityHint>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
            </visibilityHint>
          </default>
        </CmcaMultiplet1D>
      </CmcaMultiplet1D>
      <CmcaMultiplet1D serialization="custom">
        <unserializable-parents/>
        <list>
          <default>
            <size>1</size>
          </default>
          <int>1</int>
          <Peak1D>
            <positions>
              <double>4.199384970846127</double>
            </positions>
            <indices>
              <double>35503.0</double>
            </indices>
            <intensity>7.438717952E10</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>6</peakID>
          </Peak1D>
        </list>
        <PeakGroup>
          <default>
            <isF1Folded>false</isF1Folded>
            <isImpurity>false</isImpurity>
            <manuallyCreated>false</manuallyCreated>
            <meanF1LineWidth>0.0</meanF1LineWidth>
            <meanF1LineWidthError>0.0</meanF1LineWidthError>
            <volume>NaN</volume>
            <atomIndex>
              <int>-1</int>
            </atomIndex>
            <corType>UNDEFINED</corType>
            <delta>
              <double>5.0E-4</double>
            </delta>
            <multipletArea>
              <PhysicalRange>
                <start>4.2018868288264795</start>
                <end>4.197091601030804</end>
                <ref>599.899958245953</ref>
                <unit>ppm</unit>
              </PhysicalRange>
            </multipletArea>
            <name>10_s_Q1</name>
            <state>UNDEFINED</state>
          </default>
        </PeakGroup>
        <MultipletPeakGroup1D>
          <default>
            <isUnknownMultipletType>false</isUnknownMultipletType>
            <shift>4.199384970846127</shift>
            <couplingHertzJ>
              <double>0.0</double>
            </couplingHertzJ>
            <couplingJ>
              <double>0.0</double>
            </couplingJ>
            <linkedAtoms>
              <int>9</int>
            </linkedAtoms>
            <multiplicities>
              <int>1</int>
            </multiplicities>
          </default>
        </MultipletPeakGroup1D>
        <CmcaMultiplet1D>
          <default>
            <createdByAutomation>true</createdByAutomation>
            <annotation></annotation>
            <visibilityDisplay>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
            </visibilityDisplay>
            <visibilityHint>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
            </visibilityHint>
          </default>
        </CmcaMultiplet1D>
      </CmcaMultiplet1D>
      <CmcaMultiplet1D serialization="custom">
        <unserializable-parents/>
        <list>
          <default>
            <size>1</size>
          </default>
          <int>1</int>
          <Peak1D>
            <positions>
              <double>4.769601683613936</double>
            </positions>
            <indices>
              <double>32767.992414857465</double>
            </indices>
            <intensity>-9.9882496E7</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>7</peakID>
          </Peak1D>
        </list>
        <PeakGroup>
          <default>
            <isF1Folded>false</isF1Folded>
            <isImpurity>false</isImpurity>
            <manuallyCreated>false</manuallyCreated>
            <meanF1LineWidth>0.0</meanF1LineWidth>
            <meanF1LineWidthError>0.0</meanF1LineWidthError>
            <volume>NaN</volume>
            <atomIndex>
              <int>-1</int>
            </atomIndex>
            <corType>UNDEFINED</corType>
            <delta>
              <double>5.0E-4</double>
            </delta>
            <multipletArea>
              <PhysicalRange>
                <start>4.770017078531546</start>
                <end>4.761469063765341</end>
                <ref>599.899958245953</ref>
                <unit>ppm</unit>
              </PhysicalRange>
            </multipletArea>
            <name>SUP</name>
            <state>UNDEFINED</state>
          </default>
        </PeakGroup>
        <MultipletPeakGroup1D>
          <default>
            <isUnknownMultipletType>false</isUnknownMultipletType>
            <shift>4.769601683613936</shift>
            <couplingHertzJ>
              <double>0.0</double>
            </couplingHertzJ>
            <couplingJ>
              <double>0.0</double>
            </couplingJ>
            <linkedAtoms>
              <int>7</int>
            </linkedAtoms>
            <multiplicities>
              <int>1</int>
            </multiplicities>
          </default>
        </MultipletPeakGroup1D>
        <CmcaMultiplet1D>
          <default>
            <createdByAutomation>true</createdByAutomation>
            <annotation></annotation>
            <visibilityDisplay>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
            </visibilityDisplay>
            <visibilityHint>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
            </visibilityHint>
          </default>
        </CmcaMultiplet1D>
      </CmcaMultiplet1D>
      <CmcaMultiplet1D serialization="custom">
        <unserializable-parents/>
        <list>
          <default>
            <size>1</size>
          </default>
          <int>1</int>
          <Peak1D>
            <positions>
              <double>1.6350824314059764E-5</double>
            </positions>
            <indices>
              <double>55645.0</double>
            </indices>
            <intensity>3.68226304E9</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>8</peakID>
          </Peak1D>
        </list>
        <PeakGroup>
          <default>
            <isF1Folded>false</isF1Folded>
            <isImpurity>false</isImpurity>
            <manuallyCreated>false</manuallyCreated>
            <meanF1LineWidth>0.0</meanF1LineWidth>
            <meanF1LineWidthError>0.0</meanF1LineWidthError>
            <volume>NaN</volume>
            <atomIndex>
              <int>-1</int>
            </atomIndex>
            <corType>UNDEFINED</corType>
            <delta>
              <double>5.0E-4</double>
            </delta>
            <multipletArea>
              <PhysicalRange>
                <start>0.0018927443095790863</start>
                <end>-0.0020685308259800195</end>
                <ref>599.899958245953</ref>
                <unit>ppm</unit>
              </PhysicalRange>
            </multipletArea>
            <name>TMS</name>
            <state>UNDEFINED</state>
          </default>
        </PeakGroup>
        <MultipletPeakGroup1D>
          <default>
            <isUnknownMultipletType>false</isUnknownMultipletType>
            <shift>1.6350824314059764E-5</shift>
            <couplingHertzJ>
              <double>0.0</double>
            </couplingHertzJ>
            <couplingJ>
              <double>0.0</double>
            </couplingJ>
            <linkedAtoms/>
            <multiplicities>
              <int>1</int>
            </multiplicities>
          </default>
        </MultipletPeakGroup1D>
        <CmcaMultiplet1D>
          <default>
            <createdByAutomation>true</createdByAutomation>
            <annotation></annotation>
            <visibilityDisplay>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
            </visibilityDisplay>
            <visibilityHint>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
            </visibilityHint>
          </default>
        </CmcaMultiplet1D>
      </CmcaMultiplet1D>
    </list>
    <MultipletSet1D>
      <default>
        <integralNormFactor>1.0</integralNormFactor>
        <c__multiplet>de.bruker.nmr.an.multiplet1d.Multiplet</c__multiplet>
        <c__multipletSet>de.bruker.nmr.an.multiplet1d.MultipletSet</c__multipletSet>
        <delta>
          <double>5.0E-4</double>
        </delta>
        <peakList>
          <properties/>
          <dataType>PEAK_LIST</dataType>
          <dataName>name not defined</dataName>
          <selected>false</selected>
          <dataVisible>true</dataVisible>
          <peakList>
            <Peak1D>
              <positions>
                <double>2.439744857998143</double>
              </positions>
              <indices>
                <double>43943.0</double>
              </indices>
              <intensity>2.2937397504E11</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>0</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>2.684718451907667</double>
              </positions>
              <indices>
                <double>42768.0</double>
              </indices>
              <intensity>1.6707354624E10</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>1</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>2.681591129432226</double>
              </positions>
              <indices>
                <double>42783.0</double>
              </indices>
              <intensity>3.5230777344E10</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>2</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>2.6784638069567848</double>
              </positions>
              <indices>
                <double>42798.0</double>
              </indices>
              <intensity>4.9393355264E10</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>3</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>2.6753364844813436</double>
              </positions>
              <indices>
                <double>42813.0</double>
              </indices>
              <intensity>3.4865274368E10</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>4</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>2.6722091620059043</double>
              </positions>
              <indices>
                <double>42828.0</double>
              </indices>
              <intensity>1.6032500736E10</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>5</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>4.199384970846127</double>
              </positions>
              <indices>
                <double>35503.0</double>
              </indices>
              <intensity>7.438717952E10</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>6</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>4.769601683613936</double>
              </positions>
              <indices>
                <double>32767.992414857465</double>
              </indices>
              <intensity>-9.9882496E7</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>7</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>1.6350824314059764E-5</double>
              </positions>
              <indices>
                <double>55645.0</double>
              </indices>
              <intensity>3.68226304E9</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>8</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>2.5464907984931866</double>
              </positions>
              <indices>
                <double>43431.0</double>
              </indices>
              <intensity>1.314290176E9</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>9</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>3.539311440363104</double>
              </positions>
              <indices>
                <double>38669.0</double>
              </indices>
              <intensity>3.5775776256E10</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>10</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>2.487083707178661</double>
              </positions>
              <indices>
                <double>43715.94227145293</double>
              </indices>
              <intensity>-3.5248128E7</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>11</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>2.408275146699026</double>
              </positions>
              <indices>
                <double>44093.94243500432</double>
              </indices>
              <intensity>2.70293504E8</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>12</peakID>
            </Peak1D>
          </peakList>
          <headerList/>
          <units>
            <string>ppm</string>
          </units>
          <peakListFileIOFactoryType>XML</peakListFileIOFactoryType>
          <multipleAddition>false</multipleAddition>
          <modificationDate>2022-07-04 17:39:41.837 UTC</modificationDate>
          <peakListProperties/>
          <peakOrdinal>13</peakOrdinal>
        </peakList>
      </default>
    </MultipletSet1D>
  </multipletSet>
  <projectVersionNumber>1.2</projectVersionNumber>
  <projectState>AutoConsistent</projectState>
  <projectStateAutomation>AutoConsistent</projectStateAutomation>
  <resultSummary>alot of aliphatic signalsAutomatic evaluation: Spectrum and structure do not match. Only invalid solutions were found.Automatic evaluation: Spectrum and structure are in agreement.</resultSummary>
  <resultDetails>No assignment could be found for the combination of the structure and spectrum. Please check manually if the structure is in agreement with the spectrum. Automatically generated inconsistencies might also be caused by unknown impurities in the spectrum.All major signals in the spectrum could be assigned. Some exchangeable protons have not been assigned. Satellites of impurity DMSO not assigned. Satellites of impurity DMSO not assigned. Impurity DSS not assigned.</resultDetails>
  <resultOrigin>Automatic analysis generated by Bruker CMC (b:17).</resultOrigin>
  <resultSummaryCreatedByAutomation>true</resultSummaryCreatedByAutomation>
  <resultDetailsCreatedByAutomation>true</resultDetailsCreatedByAutomation>
  <manuallyEdited>false</manuallyEdited>
  <molViewOffsetX>0.05</molViewOffsetX>
  <molViewOffsetY>0.1</molViewOffsetY>
  <molViewScale>1.5</molViewScale>
  <projectDataSets/>
  <modifiedSinceReport>true</modifiedSinceReport>
  <predictedShifts>
    <PredictedShift>
      <atomId>3</atomId>
      <atomSymbol>N</atomSymbol>
      <shift1H>
        <double>10.5</double>
      </shift1H>
      <shiftQualityProton>LOW</shiftQualityProton>
    </PredictedShift>
    <PredictedShift>
      <atomId>4</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>155.0235137939453</double>
      </shift13C>
      <shiftQuality>LOW</shiftQuality>
    </PredictedShift>
    <PredictedShift>
      <atomId>5</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>155.39999389648438</double>
      </shift13C>
      <shiftQuality>LOW</shiftQuality>
    </PredictedShift>
    <PredictedShift>
      <atomId>7</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>52.099998474121094</double>
      </shift13C>
      <shift1H>
        <double>4.675000190734863</double>
      </shift1H>
      <shiftQuality>LOW</shiftQuality>
      <shiftQualityProton>MEDIUM</shiftQualityProton>
    </PredictedShift>
    <PredictedShift>
      <atomId>8</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>13.300000190734863</double>
      </shift13C>
      <shift1H>
        <double>2.4543368816375732</double>
      </shift1H>
      <shiftQuality>LOW</shiftQuality>
      <shiftQualityProton>MEDIUM</shiftQualityProton>
    </PredictedShift>
    <PredictedShift>
      <atomId>9</atomId>
      <atomSymbol>N</atomSymbol>
      <shift1H>
        <double>7.922756195068359</double>
      </shift1H>
      <shiftQualityProton>MEDIUM</shiftQualityProton>
    </PredictedShift>
  </predictedShifts>
  <cmcaDataFrameworkVersion>0.9</cmcaDataFrameworkVersion>
  <integralRange class="PeakClusterRange">
    <properties/>
    <dataType>UNKNOWN</dataType>
    <dataName>name not defined</dataName>
    <selected>false</selected>
    <dataVisible>true</dataVisible>
    <region/>
    <fileType>A</fileType>
    <peakClusters>
      <PeakCluster>
        <properties/>
        <dataType>INTEGRAL</dataType>
        <dataName>name not defined</dataName>
        <selected>false</selected>
        <dataVisible>true</dataVisible>
        <dimension>1</dimension>
        <data>
          <double>-7756288.0</double>
          <double>-4.2029056E7</double>
          <double>-8.4374016E7</double>
          <double>-1.19622144E8</double>
          <double>-1.51775744E8</double>
          <double>-1.8751744E8</double>
          <double>-2.19777024E8</double>
          <double>-2.41200128E8</double>
          <double>-2.61155328E8</double>
          <double>-2.92742144E8</double>
          <double>-3.31214848E8</double>
          <double>-3.61885696E8</double>
          <double>-3.8352384E8</double>
          <double>-4.06185472E8</double>
          <double>-4.27790848E8</double>
          <double>-4.30426112E8</double>
          <double>-4.0365824E8</double>
          <double>-3.59094784E8</double>
          <double>-3.17135872E8</double>
          <double>-2.87537152E8</double>
          <double>-2.66700288E8</double>
          <double>-2.47987712E8</double>
          <double>-2.310016E8</double>
          <double>-2.2238976E8</double>
          <double>-2.26944512E8</double>
          <double>-2.3726848E8</double>
          <double>-2.3800064E8</double>
          <double>-2.2439936E8</double>
          <double>-2.09683456E8</double>
          <double>-2.06782464E8</double>
          <double>-2.09447936E8</double>
          <double>-2.00768512E8</double>
          <double>-1.748224E8</double>
          <double>-1.39268608E8</double>
          <double>-1.01233152E8</double>
          <double>-6.3169024E7</double>
          <double>-3.04512E7</double>
          <double>-1.0254336E7</double>
          <double>-2129920.0</double>
          <double>473600.0</double>
          <double>52736.0</double>
          <double>-3573760.0</double>
          <double>-3871232.0</double>
          <double>7305216.0</double>
          <double>2.4634368E7</double>
          <double>3.2773632E7</double>
          <double>2.7815424E7</double>
          <double>2.2792192E7</double>
          <double>2.75712E7</double>
          <double>3.5406848E7</double>
          <double>3.556352E7</double>
          <double>2.8550144E7</double>
          <double>2.1748736E7</double>
          <double>1.931008E7</double>
          <double>2.3883776E7</double>
          <double>3.9679488E7</double>
          <double>6.5207808E7</double>
          <double>9.012736E7</double>
          <double>1.0811392E8</double>
          <double>1.26822912E8</double>
          <double>1.56188672E8</double>
          <double>1.9249664E8</double>
          <double>2.24017408E8</double>
          <double>2.47750656E8</double>
          <double>2.69043712E8</double>
          <double>2.871296E8</double>
          <double>2.93996544E8</double>
          <double>2.89074176E8</double>
          <double>2.83229184E8</double>
          <double>2.83780096E8</double>
          <double>2.85328384E8</double>
          <double>2.81498624E8</double>
          <double>2.77195776E8</double>
          <double>2.80690688E8</double>
          <double>2.8994816E8</double>
          <double>2.98070016E8</double>
          <double>3.10033408E8</double>
          <double>3.414144E8</double>
          <double>3.97057536E8</double>
          <double>4.61516288E8</double>
          <double>5.18194688E8</double>
          <double>5.71084288E8</double>
          <double>6.37888E8</double>
          <double>7.24613632E8</double>
          <double>8.17425408E8</double>
          <double>9.01054976E8</double>
          <double>9.76601088E8</double>
          <double>1.057029632E9</double>
          <double>1.151051776E9</double>
          <double>1.256359424E9</double>
          <double>1.36503296E9</double>
          <double>1.470537216E9</double>
          <double>1.570481152E9</double>
          <double>1.665657856E9</double>
          <double>1.756630016E9</double>
          <double>1.841705472E9</double>
          <double>1.920740864E9</double>
          <double>1.999948288E9</double>
          <double>2.087493632E9</double>
          <double>2.182752768E9</double>
          <double>2.274848256E9</double>
          <double>2.3539712E9</double>
          <double>2.41963264E9</double>
          <double>2.476504064E9</double>
          <double>2.52910336E9</double>
          <double>2.584448512E9</double>
          <double>2.653089792E9</double>
          <double>2.74087936E9</double>
          <double>2.843208192E9</double>
          <double>2.951934976E9</double>
          <double>3.063755776E9</double>
          <double>3.177499136E9</double>
          <double>3.289150976E9</double>
          <double>3.396389376E9</double>
          <double>3.503771648E9</double>
          <double>3.616800256E9</double>
          <double>3.734859264E9</double>
          <double>3.856470528E9</double>
          <double>3.986273792E9</double>
          <double>4.127983104E9</double>
          <double>4.274797568E9</double>
          <double>4.41792E9</double>
          <double>4.563290624E9</double>
          <double>4.728694784E9</double>
          <double>4.922385408E9</double>
          <double>5.133088768E9</double>
          <double>5.342763008E9</double>
          <double>5.541101568E9</double>
          <double>5.72576256E9</double>
          <double>5.897774592E9</double>
          <double>6.06239744E9</double>
          <double>6.228958208E9</double>
          <double>6.404534784E9</double>
          <double>6.59055616E9</double>
          <double>6.788038144E9</double>
          <double>7.001691136E9</double>
          <double>7.234942976E9</double>
          <double>7.48443904E9</double>
          <double>7.744336384E9</double>
          <double>8.014025728E9</double>
          <double>8.295584768E9</double>
          <double>8.582573056E9</double>
          <double>8.857824768E9</double>
          <double>9.109270528E9</double>
          <double>9.346699264E9</double>
          <double>9.5945984E9</double>
          <double>9.865004032E9</double>
          <double>1.0144994816E10</double>
          <double>1.0417032704E10</double>
          <double>1.068266496E10</double>
          <double>1.0954036736E10</double>
          <double>1.122912256E10</double>
          <double>1.149452544E10</double>
          <double>1.1753237504E10</double>
          <double>1.2028871168E10</double>
          <double>1.2334317568E10</double>
          <double>1.2653968896E10</double>
          <double>1.2968782336E10</double>
          <double>1.328368128E10</double>
          <double>1.3615361536E10</double>
          <double>1.3965295616E10</double>
          <double>1.4322036224E10</double>
          <double>1.4682610176E10</double>
          <double>1.5055501312E10</double>
          <double>1.5447399424E10</double>
          <double>1.5860717568E10</double>
          <double>1.6299060736E10</double>
          <double>1.676231424E10</double>
          <double>1.7242340352E10</double>
          <double>1.7736500736E10</double>
          <double>1.8258173952E10</double>
          <double>1.8819237376E10</double>
          <double>1.9409647104E10</double>
          <double>2.001132544E10</double>
          <double>2.0625796096E10</double>
          <double>2.126918144E10</double>
          <double>2.194473472E10</double>
          <double>2.2641536E10</double>
          <double>2.335953152E10</double>
          <double>2.4114894848E10</double>
          <double>2.49170816E10</double>
          <double>2.5757321728E10</double>
          <double>2.6623331328E10</double>
          <double>2.7511197184E10</double>
          <double>2.8420314624E10</double>
          <double>2.935011072E10</double>
          <double>3.0305192448E10</double>
          <double>3.1294701568E10</double>
          <double>3.232727296E10</double>
          <double>3.34144E10</double>
          <double>3.4572706816E10</double>
          <double>3.581229056E10</double>
          <double>3.7130918912E10</double>
          <double>3.853159424E10</double>
          <double>4.0034246144E10</double>
          <double>4.1655410176E10</double>
          <double>4.339234048E10</double>
          <double>4.5250079744E10</double>
          <double>4.7272578048E10</double>
          <double>4.9524949504E10</double>
          <double>5.2057687552E10</double>
          <double>5.4906574848E10</double>
          <double>5.8097934336E10</double>
          <double>6.1611864576E10</double>
          <double>6.535787264E10</double>
          <double>6.923362816E10</double>
          <double>7.3201924096E10</double>
          <double>7.7278405632E10</double>
          <double>8.147645952E10</double>
          <double>8.5828415488E10</double>
          <double>9.044312576E10</double>
          <double>9.5470114304E10</double>
          <double>1.01018599424E11</double>
          <double>1.07195140096E11</double>
          <double>1.1421515264E11</double>
          <double>1.22377830912E11</double>
          <double>1.31929961984E11</double>
          <double>1.43095906816E11</double>
          <double>1.56323897856E11</double>
          <double>1.72445727232E11</double>
          <double>1.92605841408E11</double>
          <double>2.18234370048E11</double>
          <double>2.51293349376E11</double>
          <double>2.94655931904E11</double>
          <double>3.52485901824E11</double>
          <double>4.30639823872E11</double>
          <double>5.3657099008E11</double>
          <double>6.77486538752E11</double>
          <double>8.56344728576E11</double>
          <double>1.067743392256E12</double>
          <double>1.297117367296E12</double>
          <double>1.524716357632E12</double>
          <double>1.732167704064E12</double>
          <double>1.907719902208E12</double>
          <double>2.04782402816E12</double>
          <double>2.155423459328E12</double>
          <double>2.236767928832E12</double>
          <double>2.298461564928E12</double>
          <double>2.345741968896E12</double>
          <double>2.382182983168E12</double>
          <double>2.410267004928E12</double>
          <double>2.431987467264E12</double>
          <double>2.449041556992E12</double>
          <double>2.46276013056E12</double>
          <double>2.474075237376E12</double>
          <double>2.483599535104E12</double>
          <double>2.491734827008E12</double>
          <double>2.49876100352E12</double>
          <double>2.504895782912E12</double>
          <double>2.510311679488E12</double>
          <double>2.515130365952E12</double>
          <double>2.519440352256E12</double>
          <double>2.52332975872E12</double>
          <double>2.5268856448E12</double>
          <double>2.530169767424E12</double>
          <double>2.533226938368E12</double>
          <double>2.536120117248E12</double>
          <double>2.538932018688E12</double>
          <double>2.541731447296E12</double>
          <double>2.544559617536E12</double>
          <double>2.547438895616E12</double>
          <double>2.550356341248E12</double>
          <double>2.553235443712E12</double>
          <double>2.555961980928E12</double>
          <double>2.55845522944E12</double>
          <double>2.560698316288E12</double>
          <double>2.562704524288E12</double>
          <double>2.56448982272E12</double>
          <double>2.5660850816E12</double>
          <double>2.567536953856E12</double>
          <double>2.568874734592E12</double>
          <double>2.570098112E12</double>
          <double>2.571211748864E12</double>
          <double>2.572248507392E12</double>
          <double>2.5732417792E12</double>
          <double>2.574195179008E12</double>
          <double>2.57509766144E12</double>
          <double>2.575952548864E12</double>
          <double>2.576774301184E12</double>
          <double>2.577569399808E12</double>
          <double>2.578337087488E12</double>
          <double>2.579080516608E12</double>
          <double>2.579804158464E12</double>
          <double>2.580506620928E12</double>
          <double>2.581184229376E12</double>
          <double>2.581833837056E12</double>
          <double>2.582447102464E12</double>
          <double>2.583014247424E12</double>
          <double>2.583540927488E12</double>
          <double>2.584049622528E12</double>
          <double>2.584556566016E12</double>
          <double>2.585058302464E12</double>
          <double>2.585546847744E12</double>
          <double>2.58602364416E12</double>
          <double>2.586489400832E12</double>
          <double>2.586934342656E12</double>
          <double>2.587351035904E12</double>
          <double>2.587746928128E12</double>
          <double>2.588133865984E12</double>
          <double>2.58851522816E12</double>
          <double>2.58889304576E12</double>
          <double>2.589276281856E12</double>
          <double>2.58966980096E12</double>
          <double>2.590064648704E12</double>
          <double>2.590451687424E12</double>
          <double>2.590836497408E12</double>
          <double>2.591228313088E12</double>
          <double>2.59162220032E12</double>
          <double>2.59200623872E12</double>
          <double>2.59238118656E12</double>
          <double>2.592759990784E12</double>
          <double>2.593151757312E12</double>
          <double>2.593558512128E12</double>
          <double>2.593984549888E12</double>
          <double>2.594436368896E12</double>
          <double>2.594914215424E12</double>
          <double>2.595414354432E12</double>
          <double>2.595939933184E12</double>
          <double>2.59650212864E12</double>
          <double>2.597113476096E12</double>
          <double>2.597790336E12</double>
          <double>2.598561879552E12</double>
          <double>2.599468399104E12</double>
          <double>2.600551850496E12</double>
          <double>2.601859505664E12</double>
          <double>2.603465681408E12</double>
          <double>2.605494355968E12</double>
          <double>2.608123715072E12</double>
          <double>2.611555425792E12</double>
          <double>2.615933208064E12</double>
          <double>2.621229445632E12</double>
          <double>2.627174270976E12</double>
          <double>2.633301719552E12</double>
          <double>2.639102563328E12</double>
          <double>2.644188225024E12</double>
          <double>2.648375573504E12</double>
          <double>2.65167544832E12</double>
          <double>2.654222765568E12</double>
          <double>2.656193293824E12</double>
          <double>2.657740929024E12</double>
          <double>2.658974326784E12</double>
          <double>2.659966883328E12</double>
          <double>2.660774289408E12</double>
          <double>2.661441792512E12</double>
          <double>2.6620050176E12</double>
          <double>2.66249248768E12</double>
          <double>2.662927209472E12</double>
          <double>2.663324337152E12</double>
          <double>2.66369129216E12</double>
          <double>2.664033957376E12</double>
          <double>2.664360228864E12</double>
          <double>2.664674412544E12</double>
          <double>2.66497206528E12</double>
          <double>2.665246976E12</double>
          <double>2.6655033856E12</double>
          <double>2.665756303872E12</double>
          <double>2.666018308096E12</double>
          <double>2.66628928256E12</double>
          <double>2.666559521792E12</double>
          <double>2.666818412544E12</double>
          <double>2.6670588416E12</double>
          <double>2.667279595008E12</double>
          <double>2.667489304064E12</double>
          <double>2.667704614912E12</double>
          <double>2.667937316864E12</double>
          <double>2.66818316032E12</double>
          <double>2.668427892736E12</double>
          <double>2.6686626944E12</double>
          <double>2.66888763136E12</double>
          <double>2.669102509568E12</double>
          <double>2.669305455616E12</double>
          <double>2.669503193088E12</double>
          <double>2.669711224832E12</double>
          <double>2.669935882752E12</double>
          <double>2.670163843584E12</double>
          <double>2.670378486272E12</double>
          <double>2.670581796864E12</double>
          <double>2.670791825408E12</double>
          <double>2.671022784512E12</double>
          <double>2.671275709952E12</double>
          <double>2.671543406592E12</double>
          <double>2.671813700096E12</double>
          <double>2.672071263744E12</double>
          <double>2.672308778496E12</double>
          <double>2.672536091648E12</double>
          <double>2.672767294976E12</double>
          <double>2.672767294976E12</double>
        </data>
        <size>
          <int>387</int>
        </size>
        <fullSize>
          <int>387</int>
        </fullSize>
        <fullRange>
          <PhysicalRange>
            <start>2.487801380037416</start>
            <end>2.4073249483360737</end>
            <ref>599.899958245953</ref>
            <unit>ppm</unit>
          </PhysicalRange>
        </fullRange>
        <intensityRange class="PhysicalRange">
          <start>-4.30426112E8</start>
          <end>2.672767294976E12</end>
          <ref>1.0</ref>
          <unit></unit>
        </intensityRange>
        <integratedIndexRange class="de.bruker.nmr.jview.data.IndexRange">
          <start>43713</start>
          <num>387</num>
        </integratedIndexRange>
        <normalizingFactor>1.0</normalizingFactor>
        <iBias>0.0</iBias>
        <iSlope>0.0</iSlope>
        <baselineCorr>false</baselineCorr>
        <baselinePoints>4</baselinePoints>
        <thisCluster>256</thisCluster>
        <label></label>
        <comment></comment>
        <isModified>false</isModified>
        <createdByAutomation>true</createdByAutomation>
        <type>Mixed</type>
        <visibilityDisplay>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
        </visibilityDisplay>
        <visibilityHint>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
        </visibilityHint>
        <protonContent>3.0</protonContent>
        <isConsistent>true</isConsistent>
        <usedForEretic>false</usedForEretic>
        <concentration>0.0</concentration>
      </PeakCluster>
      <PeakCluster>
        <properties/>
        <dataType>INTEGRAL</dataType>
        <dataName>name not defined</dataName>
        <selected>false</selected>
        <dataVisible>true</dataVisible>
        <dimension>1</dimension>
        <data>
          <double>1.8957312E7</double>
          <double>3.6598784E7</double>
          <double>5.5558144E7</double>
          <double>8.3913728E7</double>
          <double>1.14806784E8</double>
          <double>1.27385088E8</double>
          <double>1.13191936E8</double>
          <double>8.8651776E7</double>
          <double>7.3847808E7</double>
          <double>7.062272E7</double>
          <double>7.062272E7</double>
          <double>7.2748032E7</double>
          <double>7.8870016E7</double>
          <double>8.0682496E7</double>
          <double>6.6722304E7</double>
          <double>3.9430656E7</double>
          <double>1.2009984E7</double>
          <double>-9381888.0</double>
          <double>-2.7813376E7</double>
          <double>-4.2497536E7</double>
          <double>-4.7870976E7</double>
          <double>-4.605952E7</double>
          <double>-4.65408E7</double>
          <double>-5.1425792E7</double>
          <double>-5.4076928E7</double>
          <double>-5.4901248E7</double>
          <double>-6.4340992E7</double>
          <double>-8.4713472E7</double>
          <double>-1.024896E8</double>
          <double>-1.06530816E8</double>
          <double>-1.02213632E8</double>
          <double>-9.8316288E7</double>
          <double>-9.139456E7</double>
          <double>-7.5406848E7</double>
          <double>-5.7339904E7</double>
          <double>-4.7537152E7</double>
          <double>-3.910912E7</double>
          <double>-1.3592064E7</double>
          <double>3.1875584E7</double>
          <double>7.712256E7</double>
          <double>1.02846464E8</double>
          <double>1.10757376E8</double>
          <double>1.14457088E8</double>
          <double>1.20433152E8</double>
          <double>1.2732672E8</double>
          <double>1.38025472E8</double>
          <double>1.60746496E8</double>
          <double>1.96449792E8</double>
          <double>2.32741888E8</double>
          <double>2.55212544E8</double>
          <double>2.62636544E8</double>
          <double>2.6746112E8</double>
          <double>2.82008576E8</double>
          <double>3.0765056E8</double>
          <double>3.380608E8</double>
          <double>3.68512E8</double>
          <double>3.97654528E8</double>
          <double>4.22770176E8</double>
          <double>4.4038656E8</double>
          <double>4.53493248E8</double>
          <double>4.72160256E8</double>
          <double>5.02027776E8</double>
          <double>5.34738432E8</double>
          <double>5.54580992E8</double>
          <double>5.54740736E8</double>
          <double>5.44956928E8</double>
          <double>5.4388992E8</double>
          <double>5.64782592E8</double>
          <double>6.05581312E8</double>
          <double>6.50171392E8</double>
          <double>6.8151808E8</double>
          <double>6.97324032E8</double>
          <double>7.12346624E8</double>
          <double>7.43605248E8</double>
          <double>7.95209216E8</double>
          <double>8.59230208E8</double>
          <double>9.26878208E8</double>
          <double>9.93299456E8</double>
          <double>1.054034432E9</double>
          <double>1.104539648E9</double>
          <double>1.145149952E9</double>
          <double>1.181510656E9</double>
          <double>1.21744384E9</double>
          <double>1.250495488E9</double>
          <double>1.276780544E9</double>
          <double>1.297782784E9</double>
          <double>1.319790592E9</double>
          <double>1.347610112E9</double>
          <double>1.38073088E9</double>
          <double>1.415463936E9</double>
          <double>1.449486336E9</double>
          <double>1.483540992E9</double>
          <double>1.519066624E9</double>
          <double>1.556102656E9</double>
          <double>1.59585024E9</double>
          <double>1.644570112E9</double>
          <double>1.710802944E9</double>
          <double>1.796562432E9</double>
          <double>1.894219264E9</double>
          <double>1.99518976E9</double>
          <double>2.10010624E9</double>
          <double>2.217875968E9</double>
          <double>2.356402176E9</double>
          <double>2.5170176E9</double>
          <double>2.696561664E9</double>
          <double>2.891864064E9</double>
          <double>3.103210496E9</double>
          <double>3.33702144E9</double>
          <double>3.606702592E9</double>
          <double>3.9310848E9</double>
          <double>4.332355072E9</double>
          <double>4.831876608E9</double>
          <double>5.439232512E9</double>
          <double>6.139691008E9</double>
          <double>6.895205376E9</double>
          <double>7.66113792E9</double>
          <double>8.399771136E9</double>
          <double>9.07875328E9</double>
          <double>9.669401088E9</double>
          <double>1.0159349248E10</double>
          <double>1.056381184E10</double>
          <double>1.0912969728E10</double>
          <double>1.1226410496E10</double>
          <double>1.1505184768E10</double>
          <double>1.1745236992E10</double>
          <double>1.194820864E10</double>
          <double>1.2119328768E10</double>
          <double>1.2265503744E10</double>
          <double>1.2398165504E10</double>
          <double>1.2529393152E10</double>
          <double>1.2662540288E10</double>
          <double>1.2794317312E10</double>
          <double>1.2927322624E10</double>
          <double>1.3070473216E10</double>
          <double>1.322399488E10</double>
          <double>1.3375466496E10</double>
          <double>1.3517722112E10</double>
          <double>1.3660847104E10</double>
          <double>1.3816569344E10</double>
          <double>1.3977196032E10</double>
          <double>1.4120794624E10</double>
          <double>1.4234941952E10</double>
          <double>1.43270528E10</double>
          <double>1.4413113344E10</double>
          <double>1.4504318464E10</double>
          <double>1.4604483584E10</double>
          <double>1.4712904192E10</double>
          <double>1.482692864E10</double>
          <double>1.4945001984E10</double>
          <double>1.5068246016E10</double>
          <double>1.5197111296E10</double>
          <double>1.532707584E10</double>
          <double>1.5450213888E10</double>
          <double>1.55615104E10</double>
          <double>1.56634496E10</double>
          <double>1.5765427712E10</double>
          <double>1.5877435392E10</double>
          <double>1.6000490496E10</double>
          <double>1.6123696128E10</double>
          <double>1.6236135424E10</double>
          <double>1.6342222848E10</double>
          <double>1.6458593792E10</double>
          <double>1.6594029056E10</double>
          <double>1.6740379136E10</double>
          <double>1.6887166976E10</double>
          <double>1.7036797952E10</double>
          <double>1.7198830592E10</double>
          <double>1.737618944E10</double>
          <double>1.7564649472E10</double>
          <double>1.776005888E10</double>
          <double>1.7957803008E10</double>
          <double>1.8150558208E10</double>
          <double>1.8336631296E10</double>
          <double>1.8527519744E10</double>
          <double>1.8737449472E10</double>
          <double>1.896688384E10</double>
          <double>1.9205184512E10</double>
          <double>1.9448311296E10</double>
          <double>1.9704973312E10</double>
          <double>1.9986097664E10</double>
          <double>2.0297905152E10</double>
          <double>2.064651776E10</double>
          <double>2.1040188416E10</double>
          <double>2.1482961408E10</double>
          <double>2.1970494464E10</double>
          <double>2.2492089344E10</double>
          <double>2.3030919168E10</double>
          <double>2.3563610112E10</double>
          <double>2.4069487104E10</double>
          <double>2.4544125952E10</double>
          <double>2.4998168064E10</double>
          <double>2.5441015296E10</double>
          <double>2.5872196608E10</double>
          <double>2.6291139584E10</double>
          <double>2.6708163072E10</double>
          <double>2.7140322816E10</double>
          <double>2.7599791616E10</double>
          <double>2.809053952E10</double>
          <double>2.86147456E10</double>
          <double>2.9178865664E10</double>
          <double>2.979088384E10</double>
          <double>3.044809984E10</double>
          <double>3.112623872E10</double>
          <double>3.1786834944E10</double>
          <double>3.2403195904E10</double>
          <double>3.2978111488E10</double>
          <double>3.3531467264E10</double>
          <double>3.407538944E10</double>
          <double>3.4610756608E10</double>
          <double>3.5144226304E10</double>
          <double>3.569453824E10</double>
          <double>3.62789504E10</double>
          <double>3.6904194048E10</double>
          <double>3.7574312448E10</double>
          <double>3.8296052224E10</double>
          <double>3.9068943872E10</double>
          <double>3.9877223936E10</double>
          <double>4.0699077632E10</double>
          <double>4.1520456192E10</double>
          <double>4.2336230912E10</double>
          <double>4.3143448064E10</double>
          <double>4.3939236864E10</double>
          <double>4.472353536E10</double>
          <double>4.550253312E10</double>
          <double>4.6292833792E10</double>
          <double>4.7120500224E10</double>
          <double>4.800747264E10</double>
          <double>4.8958181376E10</double>
          <double>4.9969532928E10</double>
          <double>5.105653504E10</double>
          <double>5.2256754688E10</double>
          <double>5.3605136384E10</double>
          <double>5.5117921792E10</double>
          <double>5.6811689472E10</double>
          <double>5.872920576E10</double>
          <double>6.0937773056E10</double>
          <double>6.3515384832E10</double>
          <double>6.6559230464E10</double>
          <double>7.0211296768E10</double>
          <double>7.4669371904E10</double>
          <double>8.0178432512E10</double>
          <double>8.7019942912E10</double>
          <double>9.5492338176E10</double>
          <double>1.05852486656E11</double>
          <double>1.1821507328E11</double>
          <double>1.32454082048E11</double>
          <double>1.48164800512E11</double>
          <double>1.64722075136E11</double>
          <double>1.8142942976E11</double>
          <double>1.97703498752E11</double>
          <double>2.13209640448E11</double>
          <double>2.27899109376E11</double>
          <double>2.41972158464E11</double>
          <double>2.55823313408E11</double>
          <double>2.69993335808E11</double>
          <double>2.85125320192E11</double>
          <double>3.01933061632E11</double>
          <double>3.2117934848E11</double>
          <double>3.43605640192E11</double>
          <double>3.69743776768E11</double>
          <double>3.99644608E11</double>
          <double>4.326850304E11</double>
          <double>4.67612346368E11</double>
          <double>5.02843123712E11</double>
          <double>5.36885343232E11</double>
          <double>5.68704631808E11</double>
          <double>5.97906823168E11</double>
          <double>6.2470923264E11</double>
          <double>6.49771459072E11</double>
          <double>6.7400315136E11</double>
          <double>6.984368512E11</double>
          <double>7.24181487616E11</double>
          <double>7.52407322624E11</double>
          <double>7.84275060224E11</double>
          <double>8.20725548544E11</double>
          <double>8.6213083648E11</double>
          <double>9.07957578752E11</double>
          <double>9.56679650304E11</double>
          <double>1.006073005568E12</double>
          <double>1.05379007488E12</double>
          <double>1.097947298816E12</double>
          <double>1.137490130944E12</double>
          <double>1.172254659072E12</double>
          <double>1.202786740736E12</double>
          <double>1.23004972544E12</double>
          <double>1.25515909376E12</double>
          <double>1.279232965632E12</double>
          <double>1.303354424832E12</double>
          <double>1.328559028224E12</double>
          <double>1.355748995072E12</double>
          <double>1.3855015296E12</double>
          <double>1.417836890624E12</double>
          <double>1.452081011712E12</double>
          <double>1.48694628608E12</double>
          <double>1.520848910336E12</double>
          <double>1.552340554752E12</double>
          <double>1.580462057472E12</double>
          <double>1.604883540992E12</double>
          <double>1.625825705472E12</double>
          <double>1.64385828608E12</double>
          <double>1.659691961856E12</double>
          <double>1.674039414784E12</double>
          <double>1.687560689152E12</double>
          <double>1.700856088576E12</double>
          <double>1.714448889856E12</double>
          <double>1.728722833408E12</double>
          <double>1.743829625344E12</double>
          <double>1.75962021376E12</double>
          <double>1.775652714496E12</double>
          <double>1.791293840384E12</double>
          <double>1.805883693056E12</double>
          <double>1.81890100736E12</double>
          <double>1.830065305088E12</double>
          <double>1.839346397184E12</double>
          <double>1.846899554304E12</double>
          <double>1.852973932032E12</double>
          <double>1.857836807168E12</double>
          <double>1.861730742272E12</double>
          <double>1.86485917696E12</double>
          <double>1.867388269568E12</double>
          <double>1.869453839872E12</double>
          <double>1.871166365696E12</double>
          <double>1.872612791296E12</double>
          <double>1.873858379776E12</double>
          <double>1.874950876672E12</double>
          <double>1.875925297152E12</double>
          <double>1.876807094272E12</double>
          <double>1.87761412864E12</double>
          <double>1.878358278656E12</double>
          <double>1.879045822976E12</double>
          <double>1.879677328896E12</double>
          <double>1.880250609152E12</double>
          <double>1.880766775296E12</double>
          <double>1.881232830976E12</double>
          <double>1.881656840704E12</double>
          <double>1.882042121216E12</double>
          <double>1.882388432384E12</double>
          <double>1.88269722112E12</double>
          <double>1.882972645888E12</double>
          <double>1.883218975744E12</double>
          <double>1.883441217024E12</double>
          <double>1.883647993344E12</double>
          <double>1.88384945408E12</double>
          <double>1.884051431424E12</double>
          <double>1.88425431808E12</double>
          <double>1.884456492032E12</double>
          <double>1.884654066176E12</double>
          <double>1.884838277632E12</double>
          <double>1.885000529408E12</double>
          <double>1.885142350848E12</double>
          <double>1.88527441664E12</double>
          <double>1.885403236352E12</double>
          <double>1.885525028864E12</double>
          <double>1.885635529216E12</double>
          <double>1.885737918976E12</double>
          <double>1.885835451904E12</double>
          <double>1.88592380672E12</double>
          <double>1.885999319552E12</double>
          <double>1.886069513216E12</double>
          <double>1.88614557952E12</double>
          <double>1.886227275264E12</double>
          <double>1.88630525696E12</double>
          <double>1.886377002496E12</double>
          <double>1.886449700864E12</double>
          <double>1.88652655616E12</double>
          <double>1.88660143616E12</double>
          <double>1.886671309312E12</double>
          <double>1.886743891968E12</double>
          <double>1.886824896512E12</double>
          <double>1.886903697408E12</double>
          <double>1.88696123392E12</double>
          <double>1.886991713792E12</double>
          <double>1.887009726464E12</double>
          <double>1.88703387392E12</double>
          <double>1.887067085312E12</double>
          <double>1.887095748608E12</double>
          <double>1.887106807808E12</double>
          <double>1.887102628352E12</double>
          <double>1.887102628352E12</double>
        </data>
        <size>
          <int>379</int>
        </size>
        <fullSize>
          <int>379</int>
        </fullSize>
        <fullRange>
          <PhysicalRange>
            <start>2.7365277609174683</start>
            <end>2.657719234536362</end>
            <ref>599.899958245953</ref>
            <unit>ppm</unit>
          </PhysicalRange>
        </fullRange>
        <intensityRange class="PhysicalRange">
          <start>-1.06530816E8</start>
          <end>1.887106807808E12</end>
          <ref>1.0</ref>
          <unit></unit>
        </intensityRange>
        <integratedIndexRange class="de.bruker.nmr.jview.data.IndexRange">
          <start>42520</start>
          <num>379</num>
        </integratedIndexRange>
        <normalizingFactor>1.0</normalizingFactor>
        <iBias>0.0</iBias>
        <iSlope>0.0</iSlope>
        <baselineCorr>false</baselineCorr>
        <baselinePoints>4</baselinePoints>
        <thisCluster>257</thisCluster>
        <label></label>
        <comment></comment>
        <isModified>false</isModified>
        <createdByAutomation>true</createdByAutomation>
        <type>Impurity</type>
        <visibilityDisplay>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
        </visibilityDisplay>
        <visibilityHint>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
        </visibilityHint>
        <protonContent>0.0</protonContent>
        <isConsistent>true</isConsistent>
        <usedForEretic>false</usedForEretic>
        <concentration>0.0</concentration>
      </PeakCluster>
      <PeakCluster>
        <properties/>
        <dataType>INTEGRAL</dataType>
        <dataName>name not defined</dataName>
        <selected>false</selected>
        <dataVisible>true</dataVisible>
        <dimension>1</dimension>
        <data>
          <double>492032.0</double>
          <double>-1781760.0</double>
          <double>965120.0</double>
          <double>1.792768E7</double>
          <double>5.0019328E7</double>
          <double>8.6055424E7</double>
          <double>1.0889472E8</double>
          <double>1.07970048E8</double>
          <double>8.8081408E7</double>
          <double>6.5381376E7</double>
          <double>5.388544E7</double>
          <double>5.655808E7</double>
          <double>6.8114432E7</double>
          <double>8.2033152E7</double>
          <double>9.4022656E7</double>
          <double>1.04134656E8</double>
          <double>1.18484992E8</double>
          <double>1.44022016E8</double>
          <double>1.78202624E8</double>
          <double>2.09343488E8</double>
          <double>2.31413248E8</double>
          <double>2.51687936E8</double>
          <double>2.77435392E8</double>
          <double>3.03026688E8</double>
          <double>3.20956928E8</double>
          <double>3.39638272E8</double>
          <double>3.76091136E8</double>
          <double>4.32316928E8</double>
          <double>4.92114944E8</double>
          <double>5.4123008E8</double>
          <double>5.76997376E8</double>
          <double>5.97425664E8</double>
          <double>5.97576192E8</double>
          <double>5.82923264E8</double>
          <double>5.71565568E8</double>
          <double>5.74462976E8</double>
          <double>5.8560768E8</double>
          <double>6.00139264E8</double>
          <double>6.28570112E8</double>
          <double>6.80530432E8</double>
          <double>7.45245696E8</double>
          <double>8.0233472E8</double>
          <double>8.4432384E8</double>
          <double>8.75556352E8</double>
          <double>8.97673216E8</double>
          <double>9.12607744E8</double>
          <double>9.3366784E8</double>
          <double>9.7475328E8</double>
          <double>1.0298624E9</double>
          <double>1.080507904E9</double>
          <double>1.12393216E9</double>
          <double>1.176992256E9</double>
          <double>1.24930304E9</double>
          <double>1.328915456E9</double>
          <double>1.400032256E9</double>
          <double>1.460460544E9</double>
          <double>1.515137536E9</double>
          <double>1.566225408E9</double>
          <double>1.618286592E9</double>
          <double>1.681246208E9</double>
          <double>1.757441536E9</double>
          <double>1.833952256E9</double>
          <double>1.897660928E9</double>
          <double>1.951539712E9</double>
          <double>2.007266816E9</double>
          <double>2.067841024E9</double>
          <double>2.12685056E9</double>
          <double>2.180401664E9</double>
          <double>2.230486528E9</double>
          <double>2.279224832E9</double>
          <double>2.327917056E9</double>
          <double>2.38009088E9</double>
          <double>2.43828224E9</double>
          <double>2.498274304E9</double>
          <double>2.55139328E9</double>
          <double>2.5911936E9</double>
          <double>2.61457152E9</double>
          <double>2.620513792E9</double>
          <double>2.613892096E9</double>
          <double>2.607761408E9</double>
          <double>2.615071744E9</double>
          <double>2.638149632E9</double>
          <double>2.670073856E9</double>
          <double>2.704360448E9</double>
          <double>2.739262464E9</double>
          <double>2.77576192E9</double>
          <double>2.817251328E9</double>
          <double>2.869110272E9</double>
          <double>2.932013568E9</double>
          <double>2.996128768E9</double>
          <double>3.04826624E9</double>
          <double>3.086312448E9</double>
          <double>3.122533376E9</double>
          <double>3.17119744E9</double>
          <double>3.235239936E9</double>
          <double>3.305311232E9</double>
          <double>3.370044928E9</double>
          <double>3.427823616E9</double>
          <double>3.490016256E9</double>
          <double>3.57121024E9</double>
          <double>3.67496704E9</double>
          <double>3.791981568E9</double>
          <double>3.913807872E9</double>
          <double>4.0431872E9</double>
          <double>4.186032128E9</double>
          <double>4.337907712E9</double>
          <double>4.486444032E9</double>
          <double>4.6259456E9</double>
          <double>4.76165888E9</double>
          <double>4.897985536E9</double>
          <double>5.029078016E9</double>
          <double>5.144934912E9</double>
          <double>5.24343552E9</double>
          <double>5.333216256E9</double>
          <double>5.42612736E9</double>
          <double>5.527991296E9</double>
          <double>5.634340352E9</double>
          <double>5.733146624E9</double>
          <double>5.813318656E9</double>
          <double>5.87321088E9</double>
          <double>5.921601024E9</double>
          <double>5.969887744E9</double>
          <double>6.023210496E9</double>
          <double>6.079517184E9</double>
          <double>6.137194496E9</double>
          <double>6.2018304E9</double>
          <double>6.282432512E9</double>
          <double>6.380336128E9</double>
          <double>6.48565248E9</double>
          <double>6.587787776E9</double>
          <double>6.686096896E9</double>
          <double>6.78555136E9</double>
          <double>6.885698048E9</double>
          <double>6.98207232E9</double>
          <double>7.077259264E9</double>
          <double>7.180488192E9</double>
          <double>7.293854208E9</double>
          <double>7.408498688E9</double>
          <double>7.51951104E9</double>
          <double>7.636653056E9</double>
          <double>7.773924864E9</double>
          <double>7.934836736E9</double>
          <double>8.114374144E9</double>
          <double>8.309168128E9</double>
          <double>8.517817344E9</double>
          <double>8.736356864E9</double>
          <double>8.963170304E9</double>
          <double>9.207258112E9</double>
          <double>9.485041152E9</double>
          <double>9.811057664E9</double>
          <double>1.0198594048E10</double>
          <double>1.0668282368E10</double>
          <double>1.1250459136E10</double>
          <double>1.1980243456E10</double>
          <double>1.2893597696E10</double>
          <double>1.4021408768E10</double>
          <double>1.53739776E10</double>
          <double>1.6923080192E10</double>
          <double>1.8595893248E10</double>
          <double>2.028403968E10</double>
          <double>2.1866068992E10</double>
          <double>2.3244652544E10</double>
          <double>2.4384100864E10</double>
          <double>2.5313802752E10</double>
          <double>2.6086939136E10</double>
          <double>2.6736089088E10</double>
          <double>2.7270239232E10</double>
          <double>2.7700506112E10</double>
          <double>2.8050604032E10</double>
          <double>2.8344641024E10</double>
          <double>2.8599558144E10</double>
          <double>2.8829036032E10</double>
          <double>2.9041378816E10</double>
          <double>2.9233686016E10</double>
          <double>2.9401300992E10</double>
          <double>2.955300352E10</double>
          <double>2.9703451136E10</double>
          <double>2.9851624448E10</double>
          <double>2.9984228352E10</double>
          <double>3.0103745536E10</double>
          <double>3.0235420672E10</double>
          <double>3.0398572544E10</double>
          <double>3.0585019392E10</double>
          <double>3.0773715456E10</double>
          <double>3.0953613312E10</double>
          <double>3.1124021248E10</double>
          <double>3.1286212096E10</double>
          <double>3.1445814272E10</double>
          <double>3.1612432384E10</double>
          <double>3.1785548288E10</double>
          <double>3.1950006784E10</double>
          <double>3.2095796736E10</double>
          <double>3.22327936E10</double>
          <double>3.2375366656E10</double>
          <double>3.252311552E10</double>
          <double>3.2670102016E10</double>
          <double>3.2822892032E10</double>
          <double>3.2991968256E10</double>
          <double>3.3170850816E10</double>
          <double>3.334190336E10</double>
          <double>3.3502050304E10</double>
          <double>3.3666840576E10</double>
          <double>3.3847288832E10</double>
          <double>3.4035972096E10</double>
          <double>3.421893888E10</double>
          <double>3.439063808E10</double>
          <double>3.4554552832E10</double>
          <double>3.4718583808E10</double>
          <double>3.4892025856E10</double>
          <double>3.50784384E10</double>
          <double>3.526971392E10</double>
          <double>3.5455579136E10</double>
          <double>3.5640376832E10</double>
          <double>3.5841291776E10</double>
          <double>3.6067330048E10</double>
          <double>3.6308676608E10</double>
          <double>3.6550260224E10</double>
          <double>3.6787893248E10</double>
          <double>3.7026893312E10</double>
          <double>3.7272265216E10</double>
          <double>3.7526275584E10</double>
          <double>3.779146496E10</double>
          <double>3.8071228928E10</double>
          <double>3.8369603584E10</double>
          <double>3.8691852288E10</double>
          <double>3.9040512512E10</double>
          <double>3.94084352E10</double>
          <double>3.9780712448E10</double>
          <double>4.0147218944E10</double>
          <double>4.0510053888E10</double>
          <double>4.0876682752E10</double>
          <double>4.1251118592E10</double>
          <double>4.1636271104E10</double>
          <double>4.2040244224E10</double>
          <double>4.2472616448E10</double>
          <double>4.2933830144E10</double>
          <double>4.3413207552E10</double>
          <double>4.3900178944E10</double>
          <double>4.4396337152E10</double>
          <double>4.4915337728E10</double>
          <double>4.5471501312E10</double>
          <double>4.6069038592E10</double>
          <double>4.6702047744E10</double>
          <double>4.736436736E10</double>
          <double>4.8059135488E10</double>
          <double>4.8798767616E10</double>
          <double>4.9595299328E10</double>
          <double>5.0450354176E10</double>
          <double>5.135627008E10</double>
          <double>5.2311013888E10</double>
          <double>5.333295104E10</double>
          <double>5.4455803392E10</double>
          <double>5.5705185792E10</double>
          <double>5.7084779008E10</double>
          <double>5.8590368256E10</double>
          <double>6.0229718016E10</double>
          <double>6.201686272E10</double>
          <double>6.3951506944E10</double>
          <double>6.6021080064E10</double>
          <double>6.8226556928E10</double>
          <double>7.0593977344E10</double>
          <double>7.3161749504E10</double>
          <double>7.597954816E10</double>
          <double>7.9130976256E10</double>
          <double>8.2738334208E10</double>
          <double>8.692914432E10</double>
          <double>9.181605888E10</double>
          <double>9.753812736E10</double>
          <double>1.04327665152E11</double>
          <double>1.1253817856E11</double>
          <double>1.22635685888E11</double>
          <double>1.35201422336E11</double>
          <double>1.50966595584E11</double>
          <double>1.708903552E11</double>
          <double>1.96303426048E11</double>
          <double>2.29022724096E11</double>
          <double>2.711273984E11</double>
          <double>3.2412998656E11</double>
          <double>3.8778066432E11</double>
          <double>4.59289273856E11</double>
          <double>5.33676453376E11</double>
          <double>6.05209563648E11</double>
          <double>6.6912649216E11</double>
          <double>7.22755254272E11</double>
          <double>7.6565314816E11</double>
          <double>7.98980552704E11</double>
          <double>8.24599724544E11</double>
          <double>8.4433699328E11</double>
          <double>8.59625501184E11</double>
          <double>8.71495781888E11</double>
          <double>8.80722153984E11</double>
          <double>8.87939716608E11</double>
          <double>8.93672822272E11</double>
          <double>8.9832353792E11</double>
          <double>9.02176681472E11</double>
          <double>9.05428597248E11</double>
          <double>9.08218187264E11</double>
          <double>9.10648041472E11</double>
          <double>9.12797445632E11</double>
          <double>9.1472876288E11</double>
          <double>9.1648733696E11</double>
          <double>9.18102226432E11</double>
          <double>9.1959653376E11</double>
          <double>9.21000992768E11</double>
          <double>9.22352424448E11</double>
          <double>9.23674099712E11</double>
          <double>9.24961176576E11</double>
          <double>9.26190559232E11</double>
          <double>9.27342140928E11</double>
          <double>9.28405805056E11</double>
          <double>9.29374215168E11</double>
          <double>9.30241776128E11</double>
          <double>9.31013315072E11</double>
          <double>9.3170531328E11</double>
          <double>9.3233472256E11</double>
          <double>9.32910858752E11</double>
          <double>9.33437896704E11</double>
          <double>9.33918122496E11</double>
          <double>9.34352415232E11</double>
          <double>9.34745678336E11</double>
          <double>9.35112454656E11</double>
          <double>9.35467584E11</double>
          <double>9.35809415168E11</double>
          <double>9.36122580992E11</double>
          <double>9.364004992E11</double>
          <double>9.36654514688E11</double>
          <double>9.36897610752E11</double>
          <double>9.37132577792E11</double>
          <double>9.37362940416E11</double>
          <double>9.3760108032E11</double>
          <double>9.37853810176E11</double>
          <double>9.381114496E11</double>
          <double>9.3836476416E11</double>
          <double>9.38623221248E11</double>
          <double>9.38901208576E11</double>
          <double>9.39193664512E11</double>
          <double>9.3948274432E11</double>
          <double>9.39764818944E11</double>
          <double>9.40053200896E11</double>
          <double>9.40354237952E11</double>
          <double>9.40656864768E11</double>
          <double>9.40947588608E11</double>
          <double>9.412205696E11</double>
          <double>9.41469300736E11</double>
          <double>9.41683330048E11</double>
          <double>9.41861032448E11</double>
          <double>9.42015801344E11</double>
          <double>9.4216306944E11</double>
          <double>9.423085312E11</double>
          <double>9.42452774912E11</double>
          <double>9.42597906944E11</double>
          <double>9.4274361344E11</double>
          <double>9.42884682752E11</double>
          <double>9.43019084288E11</double>
          <double>9.43152742912E11</double>
          <double>9.4329095168E11</double>
          <double>9.4343047424E11</double>
          <double>9.435648768E11</double>
          <double>9.43692156928E11</double>
          <double>9.4381247232E11</double>
          <double>9.43924360704E11</double>
          <double>9.44029169664E11</double>
          <double>9.44134185984E11</double>
          <double>9.44244345344E11</double>
          <double>9.44353353216E11</double>
          <double>9.44448810496E11</double>
          <double>9.44524606464E11</double>
          <double>9.44583947264E11</double>
          <double>9.4463255552E11</double>
          <double>9.44674844672E11</double>
          <double>9.44717102592E11</double>
          <double>9.44768915968E11</double>
          <double>9.44836694528E11</double>
          <double>9.44915237376E11</double>
          <double>9.4498903808E11</double>
          <double>9.45046605824E11</double>
          <double>9.45093814784E11</double>
          <double>9.45147338752E11</double>
          <double>9.45212466688E11</double>
          <double>9.45275545088E11</double>
          <double>9.45325568512E11</double>
          <double>9.45374955008E11</double>
          <double>9.45445621248E11</double>
          <double>9.45538354688E11</double>
          <double>9.45631891968E11</double>
          <double>9.45712918016E11</double>
          <double>9.45789926912E11</double>
          <double>9.45872032768E11</double>
          <double>9.45950974464E11</double>
          <double>9.46015359488E11</double>
          <double>9.46070134784E11</double>
          <double>9.46128541696E11</double>
          <double>9.46193286656E11</double>
          <double>9.46258876928E11</double>
          <double>9.46325983232E11</double>
          <double>9.46399393792E11</double>
          <double>9.46475432448E11</double>
          <double>9.46545233408E11</double>
          <double>9.46609643008E11</double>
          <double>9.46678831616E11</double>
          <double>9.46757033984E11</double>
          <double>9.46838774272E11</double>
          <double>9.46921048576E11</double>
          <double>9.47008449024E11</double>
          <double>9.47103885824E11</double>
          <double>9.4720372224E11</double>
          <double>9.47305107968E11</double>
          <double>9.47409739776E11</double>
          <double>9.47516831232E11</double>
          <double>9.47619377664E11</double>
          <double>9.47710664192E11</double>
          <double>9.477886592E11</double>
          <double>9.47852443648E11</double>
          <double>9.47901861376E11</double>
          <double>9.47943281664E11</double>
          <double>9.47987354624E11</double>
          <double>9.4803641344E11</double>
          <double>9.48081402368E11</double>
          <double>9.48116739584E11</double>
          <double>9.48151248384E11</double>
          <double>9.48197115392E11</double>
          <double>9.4825344512E11</double>
          <double>9.48309421056E11</double>
          <double>9.4836088832E11</double>
          <double>9.48414859776E11</double>
          <double>9.48477578752E11</double>
          <double>9.48545996288E11</double>
          <double>9.48613513216E11</double>
          <double>9.48678637056E11</double>
          <double>9.48744582656E11</double>
          <double>9.48813669376E11</double>
          <double>9.48885754368E11</double>
          <double>9.48961122816E11</double>
          <double>9.49042043904E11</double>
          <double>9.49130765824E11</double>
          <double>9.49227278336E11</double>
          <double>9.49330248704E11</double>
          <double>9.49439686144E11</double>
          <double>9.4955630336E11</double>
          <double>9.49676581376E11</double>
          <double>9.49790812672E11</double>
          <double>9.49890333184E11</double>
          <double>9.4997673472E11</double>
          <double>9.50059326976E11</double>
          <double>9.5014199296E11</double>
          <double>9.50217681408E11</double>
          <double>9.50280020992E11</double>
          <double>9.50336702976E11</double>
          <double>9.50405247488E11</double>
          <double>9.50495624192E11</double>
          <double>9.50601201152E11</double>
          <double>9.507070208E11</double>
          <double>9.50803378176E11</double>
          <double>9.5089084672E11</double>
          <double>9.50975727104E11</double>
          <double>9.5106248192E11</double>
          <double>9.51149071872E11</double>
          <double>9.51229274112E11</double>
          <double>9.51301157888E11</double>
          <double>9.5137236224E11</double>
          <double>9.51453511168E11</double>
          <double>9.51546350592E11</double>
          <double>9.51642631168E11</double>
          <double>9.51735622656E11</double>
          <double>9.51827145728E11</double>
          <double>9.519196032E11</double>
          <double>9.52006516224E11</double>
          <double>9.52078744064E11</double>
          <double>9.52139191296E11</double>
          <double>9.5220364288E11</double>
          <double>9.5220364288E11</double>
        </data>
        <size>
          <int>471</int>
        </size>
        <fullSize>
          <int>471</int>
        </fullSize>
        <fullRange>
          <PhysicalRange>
            <start>4.257865901136869</start>
            <end>4.159876463573059</end>
            <ref>599.899958245953</ref>
            <unit>ppm</unit>
          </PhysicalRange>
        </fullRange>
        <intensityRange class="PhysicalRange">
          <start>-1781760.0</start>
          <end>9.5220364288E11</end>
          <ref>1.0</ref>
          <unit></unit>
        </intensityRange>
        <integratedIndexRange class="de.bruker.nmr.jview.data.IndexRange">
          <start>35223</start>
          <num>471</num>
        </integratedIndexRange>
        <normalizingFactor>1.0</normalizingFactor>
        <iBias>0.0</iBias>
        <iSlope>0.0</iSlope>
        <baselineCorr>false</baselineCorr>
        <baselinePoints>4</baselinePoints>
        <thisCluster>258</thisCluster>
        <label></label>
        <comment></comment>
        <isModified>false</isModified>
        <createdByAutomation>true</createdByAutomation>
        <type>Substance</type>
        <visibilityDisplay>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
        </visibilityDisplay>
        <visibilityHint>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
        </visibilityHint>
        <protonContent>3.0</protonContent>
        <isConsistent>true</isConsistent>
        <usedForEretic>true</usedForEretic>
        <concentration>0.7341372730983983</concentration>
      </PeakCluster>
      <PeakCluster>
        <properties/>
        <dataType>INTEGRAL</dataType>
        <dataName>name not defined</dataName>
        <selected>false</selected>
        <dataVisible>true</dataVisible>
        <dimension>1</dimension>
        <data>
          <double>-2.12736E7</double>
          <double>-3.8949376E7</double>
          <double>-5.165824E7</double>
          <double>-6.439424E7</double>
          <double>-8.3232256E7</double>
          <double>-1.0484992E8</double>
          <double>-1.18647296E8</double>
          <double>-1.20365056E8</double>
          <double>-1.17848576E8</double>
          <double>-1.2061952E8</double>
          <double>-1.28288256E8</double>
          <double>-1.33851136E8</double>
          <double>-1.36264704E8</double>
          <double>-1.4376448E8</double>
          <double>-1.62415104E8</double>
          <double>-1.84628224E8</double>
          <double>-1.9317248E8</double>
          <double>-1.77382912E8</double>
          <double>-1.43932928E8</double>
          <double>-1.11230464E8</double>
          <double>-9.4270976E7</double>
          <double>-9.4541824E7</double>
          <double>-1.01725184E8</double>
          <double>-1.02833152E8</double>
          <double>-9.100288E7</double>
          <double>-6.8941312E7</double>
          <double>-4.5766144E7</double>
          <double>-2.9720064E7</double>
          <double>-2.222848E7</double>
          <double>-1.7818624E7</double>
          <double>-9485312.0</double>
          <double>5235712.0</double>
          <double>2.2582272E7</double>
          <double>3.7128192E7</double>
          <double>4.875008E7</double>
          <double>6.396416E7</double>
          <double>8.821248E7</double>
          <double>1.17645312E8</double>
          <double>1.42356992E8</double>
          <double>1.58802432E8</double>
          <double>1.75228416E8</double>
          <double>2.02464256E8</double>
          <double>2.4251392E8</double>
          <double>2.88796672E8</double>
          <double>3.33746688E8</double>
          <double>3.71854848E8</double>
          <double>3.98699008E8</double>
          <double>4.13441024E8</double>
          <double>4.21480448E8</double>
          <double>4.29315584E8</double>
          <double>4.37964288E8</double>
          <double>4.4764416E8</double>
          <double>4.675968E8</double>
          <double>5.1200768E8</double>
          <double>5.83620608E8</double>
          <double>6.69787136E8</double>
          <double>7.5920384E8</double>
          <double>8.54651904E8</double>
          <double>9.62515456E8</double>
          <double>1.076929536E9</double>
          <double>1.18440192E9</double>
          <double>1.280619008E9</double>
          <double>1.371834368E9</double>
          <double>1.459875328E9</double>
          <double>1.53671168E9</double>
          <double>1.597823488E9</double>
          <double>1.65288192E9</double>
          <double>1.717387264E9</double>
          <double>1.798544896E9</double>
          <double>1.895022592E9</double>
          <double>2.007852544E9</double>
          <double>2.146257408E9</double>
          <double>2.323386368E9</double>
          <double>2.55052288E9</double>
          <double>2.837561856E9</double>
          <double>3.200821248E9</double>
          <double>3.674950656E9</double>
          <double>4.322224128E9</double>
          <double>5.233010688E9</double>
          <double>6.518578688E9</double>
          <double>8.298464768E9</double>
          <double>1.0671417856E10</double>
          <double>1.3657113088E10</double>
          <double>1.7131024384E10</double>
          <double>2.0813287424E10</double>
          <double>2.4349605376E10</double>
          <double>2.744237568E10</double>
          <double>2.9941643776E10</double>
          <double>3.1846716928E10</double>
          <double>3.3247822336E10</double>
          <double>3.4264715264E10</double>
          <double>3.5008013824E10</double>
          <double>3.5560041472E10</double>
          <double>3.5972669952E10</double>
          <double>3.6280763392E10</double>
          <double>3.6516265984E10</double>
          <double>3.6706819072E10</double>
          <double>3.686552064E10</double>
          <double>3.6991616E10</double>
          <double>3.7083636736E10</double>
          <double>3.7146748928E10</double>
          <double>3.7186946048E10</double>
          <double>3.7206311936E10</double>
          <double>3.720928E10</double>
          <double>3.7208615424E10</double>
          <double>3.7218914816E10</double>
          <double>3.7245901312E10</double>
          <double>3.728665344E10</double>
          <double>3.7338492928E10</double>
          <double>3.7402056704E10</double>
          <double>3.74756224E10</double>
          <double>3.7551923712E10</double>
          <double>3.762301184E10</double>
          <double>3.7685107712E10</double>
          <double>3.7736401408E10</double>
          <double>3.7772880384E10</double>
          <double>3.7790359552E10</double>
          <double>3.7791296512E10</double>
          <double>3.7787551232E10</double>
          <double>3.7794272256E10</double>
          <double>3.7819290624E10</double>
          <double>3.7857029632E10</double>
          <double>3.789275136E10</double>
          <double>3.79144064E10</double>
          <double>3.7921960448E10</double>
          <double>3.792536064E10</double>
          <double>3.793297408E10</double>
          <double>3.7942380544E10</double>
          <double>3.7943503872E10</double>
          <double>3.7930916864E10</double>
          <double>3.7911502336E10</double>
          <double>3.7898170368E10</double>
          <double>3.7896492032E10</double>
          <double>3.7896492032E10</double>
        </data>
        <size>
          <int>134</int>
        </size>
        <fullSize>
          <int>134</int>
        </fullSize>
        <fullRange>
          <PhysicalRange>
            <start>0.017425112604268378</start>
            <end>-0.010095325179610981</end>
            <ref>599.899958245953</ref>
            <unit>ppm</unit>
          </PhysicalRange>
        </fullRange>
        <intensityRange class="PhysicalRange">
          <start>-1.9317248E8</start>
          <end>3.7943503872E10</end>
          <ref>1.0</ref>
          <unit></unit>
        </intensityRange>
        <integratedIndexRange class="de.bruker.nmr.jview.data.IndexRange">
          <start>55561</start>
          <num>134</num>
        </integratedIndexRange>
        <normalizingFactor>1.0</normalizingFactor>
        <iBias>0.0</iBias>
        <iSlope>0.0</iSlope>
        <baselineCorr>false</baselineCorr>
        <baselinePoints>4</baselinePoints>
        <thisCluster>259</thisCluster>
        <label></label>
        <comment></comment>
        <isModified>false</isModified>
        <createdByAutomation>true</createdByAutomation>
        <type>Impurity</type>
        <visibilityDisplay>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
        </visibilityDisplay>
        <visibilityHint>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>true</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
          <boolean>false</boolean>
        </visibilityHint>
        <protonContent>0.0</protonContent>
        <isConsistent>true</isConsistent>
        <usedForEretic>false</usedForEretic>
        <concentration>0.0</concentration>
      </PeakCluster>
    </peakClusters>
  </integralRange>
  <prop>
    <property name="PURITY_AUTOMATION" value="Low"/>
  </prop>
</CmcaProject>