<?xml version="1.0" encoding="UTF-8"?>
<!--
Created 2022-07-04T16:11:44
-->
<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>1</size>
          </default>
          <int>1</int>
          <Peak1D>
            <positions>
              <double>2.570439825439152</double>
            </positions>
            <indices>
              <double>41289.0</double>
            </indices>
            <intensity>1.41074735616E11</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>17019</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>2.5787552956306463</start>
                <end>2.5611460646368958</end>
                <ref>599.89996423</ref>
                <unit>ppm</unit>
              </PhysicalRange>
            </multipletArea>
            <name>DMSO</name>
            <state>UNDEFINED</state>
          </default>
        </PeakGroup>
        <MultipletPeakGroup1D>
          <default>
            <isUnknownMultipletType>false</isUnknownMultipletType>
            <shift>2.570439825439152</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>
      <CmcaMultiplet1D serialization="custom">
        <unserializable-parents/>
        <list>
          <default>
            <size>2</size>
          </default>
          <int>2</int>
          <Peak1D>
            <positions>
              <double>5.679936531752406</double>
            </positions>
            <indices>
              <double>28575.0</double>
            </indices>
            <intensity>2.2830096384E10</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>5.67577879665666</double>
            </positions>
            <indices>
              <double>28592.0</double>
            </indices>
            <intensity>2.4470980352E10</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>9</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>5.682626830932008</start>
                <end>5.671131916255531</end>
                <ref>599.89996423</ref>
                <unit>ppm</unit>
              </PhysicalRange>
            </multipletArea>
            <name>9_d_Q1</name>
            <state>UNDEFINED</state>
          </default>
        </PeakGroup>
        <MultipletPeakGroup1D>
          <default>
            <isUnknownMultipletType>false</isUnknownMultipletType>
            <shift>5.677857664204533</shift>
            <couplingHertzJ>
              <double>2.494225135215985</double>
            </couplingHertzJ>
            <couplingJ>
              <double>0.00415773509574624</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>2</size>
          </default>
          <int>2</int>
          <Peak1D>
            <positions>
              <double>7.33495967251234</double>
            </positions>
            <indices>
              <double>21808.0</double>
            </indices>
            <intensity>2.4435473664E10</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>7.331046510069283</double>
            </positions>
            <indices>
              <double>21824.0</double>
            </indices>
            <intensity>2.677019648E10</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>11</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>7.337894544344631</start>
                <end>7.3256659117100815</end>
                <ref>599.89996423</ref>
                <unit>ppm</unit>
              </PhysicalRange>
            </multipletArea>
            <name>7_d</name>
            <state>UNDEFINED</state>
          </default>
        </PeakGroup>
        <MultipletPeakGroup1D>
          <default>
            <isUnknownMultipletType>false</isUnknownMultipletType>
            <shift>7.333003091290811</shift>
            <couplingHertzJ>
              <double>2.3475060096155778</double>
            </couplingHertzJ>
            <couplingJ>
              <double>0.003913162443056173</double>
            </couplingJ>
            <linkedAtoms>
              <int>6</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>1</size>
          </default>
          <int>1</int>
          <Peak1D>
            <positions>
              <double>4.654442407067845</double>
            </positions>
            <indices>
              <double>32768.0040558551</double>
            </indices>
            <intensity>-2.11532032E8</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>4.654687971671775</start>
                <end>4.653954253713701</end>
                <ref>599.89996423</ref>
                <unit>ppm</unit>
              </PhysicalRange>
            </multipletArea>
            <name>SUP</name>
            <state>UNDEFINED</state>
          </default>
        </PeakGroup>
        <MultipletPeakGroup1D>
          <default>
            <isUnknownMultipletType>true</isUnknownMultipletType>
            <shift>4.654442407067845</shift>
            <couplingHertzJ>
              <double>0.0</double>
            </couplingHertzJ>
            <couplingJ>
              <double>0.0</double>
            </couplingJ>
            <linkedAtoms>
              <int>3</int>
              <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>0.036177998255109145</double>
            </positions>
            <indices>
              <double>51651.0</double>
            </indices>
            <intensity>2.56873216E8</intensity>
            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>13</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>0.0386237247820187</start>
                <end>0.035199707644345324</end>
                <ref>599.89996423</ref>
                <unit>ppm</unit>
              </PhysicalRange>
            </multipletArea>
            <name>TMS</name>
            <state>UNDEFINED</state>
          </default>
        </PeakGroup>
        <MultipletPeakGroup1D>
          <default>
            <isUnknownMultipletType>false</isUnknownMultipletType>
            <shift>0.036177998255109145</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>2.570049776572109</double>
              </positions>
              <indices>
                <double>41290.59481799274</double>
              </indices>
              <intensity>1.41074735616E11</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>5.679546481675713</double>
              </positions>
              <indices>
                <double>28576.594822938714</double>
              </indices>
              <intensity>2.2830096384E10</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>5.675388746581583</double>
              </positions>
              <indices>
                <double>28593.5948229321</double>
              </indices>
              <intensity>2.4470980352E10</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>7.334569621791812</double>
              </positions>
              <indices>
                <double>21809.5948255712</double>
              </indices>
              <intensity>2.4435473664E10</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>7.330656459350278</double>
              </positions>
              <indices>
                <double>21825.594825564975</double>
              </indices>
              <intensity>2.677019648E10</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>4.654053392232039</double>
              </positions>
              <indices>
                <double>32769.59464593753</double>
              </indices>
              <intensity>-2.11532032E8</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>0.03578795037393867</double>
              </positions>
              <indices>
                <double>51652.59481396174</double>
              </indices>
              <intensity>2.56873216E8</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>2.570439825439152</double>
              </positions>
              <indices>
                <double>41289.0</double>
              </indices>
              <intensity>1.41074735616E11</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>5.679936531752406</double>
              </positions>
              <indices>
                <double>28575.0</double>
              </indices>
              <intensity>2.2830096384E10</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>5.67577879665666</double>
              </positions>
              <indices>
                <double>28592.0</double>
              </indices>
              <intensity>2.4470980352E10</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>7.33495967251234</double>
              </positions>
              <indices>
                <double>21808.0</double>
              </indices>
              <intensity>2.4435473664E10</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>7.331046510069283</double>
              </positions>
              <indices>
                <double>21824.0</double>
              </indices>
              <intensity>2.677019648E10</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>4.654442407067845</double>
              </positions>
              <indices>
                <double>32768.0040558551</double>
              </indices>
              <intensity>-2.11532032E8</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>12</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>0.036177998255109145</double>
              </positions>
              <indices>
                <double>51651.0</double>
              </indices>
              <intensity>2.56873216E8</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>13</peakID>
            </Peak1D>
          </peakList>
          <headerList/>
          <units>
            <string>ppm</string>
          </units>
          <peakListFileIOFactoryType>XML</peakListFileIOFactoryType>
          <multipleAddition>false</multipleAddition>
          <modificationDate>2021-09-17 14:28:26.600 UTC</modificationDate>
          <peakListProperties/>
          <peakOrdinal>14</peakOrdinal>
        </peakList>
      </default>
    </MultipletSet1D>
  </multipletSet>
  <projectVersionNumber>1.2</projectVersionNumber>
  <projectState>AutoConsistent</projectState>
  <projectStateAutomation>AutoConsistent</projectStateAutomation>
  <resultSummary>Automatic evaluation: Spectrum and structure are in agreement.</resultSummary>
  <resultDetails>The automatic evaluation ended due to technical problems. No results are available.All major signals in the spectrum could be assigned. Some exchangeable protons have not been assigned. Impurity H2O not assigned. Satellites of impurity DMSO not assigned. Impurity DMSO not assigned.All major signals in the spectrum could be assigned. Some exchangeable protons have not been assigned. Impurity H2O not assigned. Satellites of impurity DMSO not assigned. Impurity DMSO not assigned.All major signals in the spectrum could be assigned. Some exchangeable protons have not been assigned. Satellites of impurity DMSO not assigned. Impurity DMSO not assigned.All major signals in the spectrum could be assigned. Some exchangeable protons have not been assigned. Satellites and main signal of impurity DMSO 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>1</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>173.52999877929688</double>
      </shift13C>
      <shiftQuality>LOW</shiftQuality>
    </PredictedShift>
    <PredictedShift>
      <atomId>2</atomId>
      <atomSymbol>N</atomSymbol>
      <shift1H>
        <double>7.3464274406433105</double>
        <double>7.3464274406433105</double>
      </shift1H>
      <shiftQualityProton>MEDIUM</shiftQualityProton>
    </PredictedShift>
    <PredictedShift>
      <atomId>3</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>62.900001525878906</double>
      </shift13C>
      <shift1H>
        <double>4.570000171661377</double>
      </shift1H>
      <shiftQuality>LOW</shiftQuality>
      <shiftQualityProton>MEDIUM</shiftQualityProton>
    </PredictedShift>
    <PredictedShift>
      <atomId>6</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>129.1958465576172</double>
      </shift13C>
      <shift1H>
        <double>6.900000095367432</double>
      </shift1H>
      <shiftQuality>LOW</shiftQuality>
      <shiftQualityProton>MEDIUM</shiftQualityProton>
    </PredictedShift>
    <PredictedShift>
      <atomId>7</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>155.08799743652344</double>
      </shift13C>
      <shiftQuality>LOW</shiftQuality>
    </PredictedShift>
    <PredictedShift>
      <atomId>8</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>95.90609741210938</double>
      </shift13C>
      <shift1H>
        <double>5.300000190734863</double>
      </shift1H>
      <shiftQuality>LOW</shiftQuality>
      <shiftQualityProton>MEDIUM</shiftQualityProton>
    </PredictedShift>
    <PredictedShift>
      <atomId>9</atomId>
      <atomSymbol>N</atomSymbol>
      <shift1H>
        <double>3.700000047683716</double>
      </shift1H>
      <shiftQualityProton>HIGH</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>1.0587904E7</double>
          <double>5.3177344E7</double>
          <double>1.16871168E8</double>
          <double>1.8147072E8</double>
          <double>2.33575424E8</double>
          <double>2.74310912E8</double>
          <double>3.17149696E8</double>
          <double>3.76147712E8</double>
          <double>4.53301248E8</double>
          <double>5.38436352E8</double>
          <double>6.20852992E8</double>
          <double>6.97093632E8</double>
          <double>7.678208E8</double>
          <double>8.33600256E8</double>
          <double>8.96484608E8</double>
          <double>9.60986624E8</double>
          <double>1.029939712E9</double>
          <double>1.101394688E9</double>
          <double>1.170596864E9</double>
          <double>1.232654848E9</double>
          <double>1.28425344E9</double>
          <double>1.327711488E9</double>
          <double>1.373841664E9</double>
          <double>1.436082432E9</double>
          <double>1.521074688E9</double>
          <double>1.628600832E9</double>
          <double>1.758600448E9</double>
          <double>1.911277056E9</double>
          <double>2.082307072E9</double>
          <double>2.269374464E9</double>
          <double>2.487068416E9</double>
          <double>2.766041088E9</double>
          <double>3.131755264E9</double>
          <double>3.58974592E9</double>
          <double>4.133595392E9</double>
          <double>4.756234752E9</double>
          <double>5.444899584E9</double>
          <double>6.171805952E9</double>
          <double>6.899382784E9</double>
          <double>7.593732096E9</double>
          <double>8.231110912E9</double>
          <double>8.799505664E9</double>
          <double>9.301391104E9</double>
          <double>9.749833984E9</double>
          <double>1.0154939648E10</double>
          <double>1.0517651968E10</double>
          <double>1.0839823616E10</double>
          <double>1.1130628864E10</double>
          <double>1.1394699264E10</double>
          <double>1.1623192832E10</double>
          <double>1.1808987904E10</double>
          <double>1.1964604672E10</double>
          <double>1.211155584E10</double>
          <double>1.2255767296E10</double>
          <double>1.238771072E10</double>
          <double>1.2504674048E10</double>
          <double>1.2616869888E10</double>
          <double>1.2729671168E10</double>
          <double>1.283554944E10</double>
          <double>1.2929888E10</double>
          <double>1.3022317568E10</double>
          <double>1.3124281088E10</double>
          <double>1.3234456576E10</double>
          <double>1.3344620544E10</double>
          <double>1.3453334528E10</double>
          <double>1.3566667008E10</double>
          <double>1.3690807296E10</double>
          <double>1.3829915392E10</double>
          <double>1.3984791552E10</double>
          <double>1.414575872E10</double>
          <double>1.429198208E10</double>
          <double>1.4407652864E10</double>
          <double>1.4498065152E10</double>
          <double>1.4583017216E10</double>
          <double>1.4675984896E10</double>
          <double>1.4776676096E10</double>
          <double>1.4881504256E10</double>
          <double>1.4990065664E10</double>
          <double>1.509796352E10</double>
          <double>1.5193706752E10</double>
          <double>1.527205632E10</double>
          <double>1.5345982464E10</double>
          <double>1.5435311616E10</double>
          <double>1.5543487744E10</double>
          <double>1.5654745088E10</double>
          <double>1.5757235456E10</double>
          <double>1.5860479232E10</double>
          <double>1.5984137472E10</double>
          <double>1.6137163264E10</double>
          <double>1.6317433344E10</double>
          <double>1.6527032064E10</double>
          <double>1.6776340224E10</double>
          <double>1.7075315456E10</double>
          <double>1.7434611712E10</double>
          <double>1.7877499648E10</double>
          <double>1.8436602112E10</double>
          <double>1.9131166208E10</double>
          <double>1.995560832E10</double>
          <double>2.0893041408E10</double>
          <double>2.1925470976E10</double>
          <double>2.3022189568E10</double>
          <double>2.4134460928E10</double>
          <double>2.522117504E10</double>
          <double>2.6276511232E10</double>
          <double>2.7320978176E10</double>
          <double>2.8372560896E10</double>
          <double>2.9441232128E10</double>
          <double>3.0544585984E10</double>
          <double>3.1707707136E10</double>
          <double>3.294414976E10</double>
          <double>3.4249562112E10</double>
          <double>3.5612814336E10</double>
          <double>3.7017485824E10</double>
          <double>3.8431440128E10</double>
          <double>3.9813434368E10</double>
          <double>4.1139083776E10</double>
          <double>4.241142144E10</double>
          <double>4.3644285184E10</double>
          <double>4.4849833984E10</double>
          <double>4.604808192E10</double>
          <double>4.7273922048E10</double>
          <double>4.856219264E10</double>
          <double>4.9929483008E10</double>
          <double>5.137330048E10</double>
          <double>5.288046464E10</double>
          <double>5.4433210368E10</double>
          <double>5.6017149952E10</double>
          <double>5.7627517696E10</double>
          <double>5.9259344384E10</double>
          <double>6.0893232128E10</double>
          <double>6.2510142976E10</double>
          <double>6.4129329408E10</double>
          <double>6.5816548352E10</double>
          <double>6.7644306432E10</double>
          <double>6.9659842304E10</double>
          <double>7.1908907264E10</double>
          <double>7.4480301824E10</double>
          <double>7.7509298944E10</double>
          <double>8.1148036864E10</double>
          <double>8.5563140352E10</double>
          <double>9.0976073728E10</double>
          <double>9.7695855104E10</double>
          <double>1.06105806592E11</double>
          <double>1.16630130944E11</double>
          <double>1.2972641536E11</double>
          <double>1.45901148416E11</double>
          <double>1.65695661824E11</double>
          <double>1.89608252672E11</double>
          <double>2.17986979072E11</double>
          <double>2.509585024E11</double>
          <double>2.88408984576E11</double>
          <double>3.29983956736E11</double>
          <double>3.75116045568E11</double>
          <double>4.23151869184E11</double>
          <double>4.73584582144E11</double>
          <double>5.2625445632E11</double>
          <double>5.81383478784E11</double>
          <double>6.39492577536E11</double>
          <double>7.01338643968E11</double>
          <double>7.67860148224E11</double>
          <double>8.39997800192E11</double>
          <double>9.18401122048E11</double>
          <double>1.00321894144E12</double>
          <double>1.094076463104E12</double>
          <double>1.190124712704E12</double>
          <double>1.29009599232E12</double>
          <double>1.392513690112E12</double>
          <double>1.496136270848E12</double>
          <double>1.600382068736E12</double>
          <double>1.705418916352E12</double>
          <double>1.81196099712E12</double>
          <double>1.921060957696E12</double>
          <double>2.033977738496E12</double>
          <double>2.151948051968E12</double>
          <double>2.275820227328E12</double>
          <double>2.405751796224E12</double>
          <double>2.54109560576E12</double>
          <double>2.680392913152E12</double>
          <double>2.821467648768E12</double>
          <double>2.961796061696E12</double>
          <double>3.099152091904E12</double>
          <double>3.232157671424E12</double>
          <double>3.3603893184E12</double>
          <double>3.484128356352E12</double>
          <double>3.60407900416E12</double>
          <double>3.721168000256E12</double>
          <double>3.836328371712E12</double>
          <double>3.950266861568E12</double>
          <double>4.063324577792E12</double>
          <double>4.175417679104E12</double>
          <double>4.285963387904E12</double>
          <double>4.393874591744E12</double>
          <double>4.497818491392E12</double>
          <double>4.596681822208E12</double>
          <double>4.68989815936E12</double>
          <double>4.777428668672E12</double>
          <double>4.859560278016E12</double>
          <double>4.936768107264E12</double>
          <double>5.00965359872E12</double>
          <double>5.078844731648E12</double>
          <double>5.144866304256E12</double>
          <double>5.208065017344E12</double>
          <double>5.268578951936E12</double>
          <double>5.32629876736E12</double>
          <double>5.380873722368E12</double>
          <double>5.431846031616E12</double>
          <double>5.478848454144E12</double>
          <double>5.521705959936E12</double>
          <double>5.560404262656E12</double>
          <double>5.595032474368E12</double>
          <double>5.62576717312E12</double>
          <double>5.652855167744E12</double>
          <double>5.676567397632E12</double>
          <double>5.697174311168E12</double>
          <double>5.714968401152E12</double>
          <double>5.730277789952E12</double>
          <double>5.743431448832E12</double>
          <double>5.754723153408E12</double>
          <double>5.764422326784E12</double>
          <double>5.772796975872E12</double>
          <double>5.780095629312E12</double>
          <double>5.786510578432E12</double>
          <double>5.792180424192E12</double>
          <double>5.797227476992E12</double>
          <double>5.801773152768E12</double>
          <double>5.80591465088E12</double>
          <double>5.80970645888E12</double>
          <double>5.813177132544E12</double>
          <double>5.816357202688E12</double>
          <double>5.8192845504E12</double>
          <double>5.82199188224E12</double>
          <double>5.82450182016E12</double>
          <double>5.82683568896E12</double>
          <double>5.829021111296E12</double>
          <double>5.83108848E12</double>
          <double>5.833061225984E12</double>
          <double>5.834949165312E12</double>
          <double>5.83675049728E12</double>
          <double>5.83846269184E12</double>
          <double>5.840093913856E12</double>
          <double>5.841661179648E12</double>
          <double>5.843173609472E12</double>
          <double>5.844621308416E12</double>
          <double>5.845989310976E12</double>
          <double>5.847282676736E12</double>
          <double>5.848527235328E12</double>
          <double>5.849739671296E12</double>
          <double>5.850905882112E12</double>
          <double>5.85199939072E12</double>
          <double>5.853016413952E12</double>
          <double>5.853981095936E12</double>
          <double>5.854918128896E12</double>
          <double>5.855833313792E12</double>
          <double>5.856722571008E12</double>
          <double>5.857585955584E12</double>
          <double>5.858425529344E12</double>
          <double>5.85923920384E12</double>
          <double>5.860024155904E12</double>
          <double>5.860778777856E12</double>
          <double>5.861496619008E12</double>
          <double>5.86217104128E12</double>
          <double>5.862815951104E12</double>
          <double>5.863468424448E12</double>
          <double>5.86415218048E12</double>
          <double>5.864844299776E12</double>
          <double>5.865497419264E12</double>
          <double>5.866094011136E12</double>
          <double>5.866660755712E12</double>
          <double>5.86722905728E12</double>
          <double>5.867802363904E12</double>
          <double>5.868367883264E12</double>
          <double>5.8689179968E12</double>
          <double>5.869446354688E12</double>
          <double>5.86994174464E12</double>
          <double>5.870406469376E12</double>
          <double>5.870869925888E12</double>
          <double>5.871361668608E12</double>
          <double>5.871873349632E12</double>
          <double>5.872364658944E12</double>
          <double>5.872805970432E12</double>
          <double>5.873200675328E12</double>
          <double>5.873568948992E12</double>
          <double>5.873928092416E12</double>
          <double>5.874288822272E12</double>
          <double>5.87465049728E12</double>
          <double>5.874994934272E12</double>
          <double>5.875303716352E12</double>
          <double>5.87558900864E12</double>
          <double>5.875888951296E12</double>
          <double>5.876222761728E12</double>
          <double>5.876568797184E12</double>
          <double>5.876899620096E12</double>
          <double>5.877218479616E12</double>
          <double>5.877541210112E12</double>
          <double>5.877860424704E12</double>
          <double>5.878156800256E12</double>
          <double>5.8784367296E12</double>
          <double>5.878726490624E12</double>
          <double>5.879028253184E12</double>
          <double>5.879312340992E12</double>
          <double>5.87956124288E12</double>
          <double>5.879794304512E12</double>
          <double>5.880035435008E12</double>
          <double>5.880279263744E12</double>
          <double>5.880506694912E12</double>
          <double>5.880716206848E12</double>
          <double>5.880920846336E12</double>
          <double>5.881127481344E12</double>
          <double>5.881337043712E12</double>
          <double>5.881552929792E12</double>
          <double>5.8817693376E12</double>
          <double>5.881962276096E12</double>
          <double>5.882115799808E12</double>
          <double>5.882251389184E12</double>
          <double>5.882407216384E12</double>
          <double>5.882589968128E12</double>
          <double>5.882771111424E12</double>
          <double>5.88293213696E12</double>
          <double>5.883087862528E12</double>
          <double>5.883257398528E12</double>
          <double>5.883436594176E12</double>
          <double>5.883614152704E12</double>
          <double>5.883796179968E12</double>
          <double>5.883995207936E12</double>
          <double>5.884204692736E12</double>
          <double>5.884401802752E12</double>
          <double>5.884571308544E12</double>
          <double>5.884714744064E12</double>
          <double>5.88484166272E12</double>
          <double>5.884964872448E12</double>
          <double>5.885100434944E12</double>
          <double>5.88525802368E12</double>
          <double>5.885428792832E12</double>
          <double>5.885590132736E12</double>
          <double>5.885722962176E12</double>
          <double>5.88582125184E12</double>
          <double>5.885891560704E12</double>
          <double>5.88595318272E12</double>
          <double>5.886033778432E12</double>
          <double>5.886150214912E12</double>
          <double>5.886290429696E12</double>
          <double>5.886423421696E12</double>
          <double>5.88653101568E12</double>
          <double>5.886624232448E12</double>
          <double>5.886726800896E12</double>
          <double>5.886848428288E12</double>
          <double>5.88697645696E12</double>
          <double>5.8870894848E12</double>
          <double>5.88717780352E12</double>
          <double>5.887253229312E12</double>
          <double>5.887337398528E12</double>
          <double>5.887436283392E12</double>
          <double>5.887529584896E12</double>
          <double>5.887592728832E12</double>
          <double>5.887627034112E12</double>
          <double>5.887658416128E12</double>
          <double>5.887706931968E12</double>
          <double>5.887769945088E12</double>
          <double>5.887838701312E12</double>
          <double>5.887917878784E12</double>
          <double>5.888018186752E12</double>
          <double>5.888137433344E12</double>
          <double>5.888260795392E12</double>
          <double>5.888377306624E12</double>
          <double>5.888486861056E12</double>
          <double>5.88859274368E12</double>
          <double>5.888696487168E12</double>
          <double>5.888799965952E12</double>
          <double>5.888903529216E12</double>
          <double>5.889000143616E12</double>
          <double>5.889079196416E12</double>
          <double>5.889139231488E12</double>
          <double>5.889190715648E12</double>
          <double>5.88924382336E12</double>
          <double>5.88930081536E12</double>
          <double>5.889363779072E12</double>
          <double>5.889440037888E12</double>
          <double>5.88953126912E12</double>
          <double>5.889625069824E12</double>
          <double>5.889709761536E12</double>
          <double>5.88979317248E12</double>
          <double>5.88989143936E12</double>
          <double>5.88999936768E12</double>
          <double>5.890090189568E12</double>
          <double>5.890152237824E12</double>
          <double>5.890208784128E12</double>
          <double>5.890286304512E12</double>
          <double>5.890374564608E12</double>
          <double>5.89043759872E12</double>
          <double>5.89045988736E12</double>
          <double>5.890462496256E12</double>
          <double>5.890473899264E12</double>
          <double>5.890504492544E12</double>
          <double>5.890553390336E12</double>
          <double>5.890619000064E12</double>
          <double>5.890691501312E12</double>
          <double>5.89075185152E12</double>
          <double>5.890793379584E12</double>
          <double>5.890832538624E12</double>
          <double>5.890883893504E12</double>
          <double>5.890936523264E12</double>
          <double>5.890973163008E12</double>
          <double>5.89100223232E12</double>
          <double>5.891047365376E12</double>
          <double>5.891109619712E12</double>
          <double>5.891166656512E12</double>
          <double>5.8912134464E12</double>
          <double>5.891278340608E12</double>
          <double>5.891386212096E12</double>
          <double>5.891524340224E12</double>
          <double>5.891659430912E12</double>
          <double>5.891773582336E12</double>
          <double>5.891867069696E12</double>
          <double>5.891938398976E12</double>
          <double>5.89198391936E12</double>
          <double>5.892014139392E12</double>
          <double>5.892050246656E12</double>
          <double>5.892099982336E12</double>
          <double>5.89214967168E12</double>
          <double>5.892184059136E12</double>
          <double>5.892204081408E12</double>
          <double>5.892222003456E12</double>
          <double>5.892249184512E12</double>
          <double>5.89229368064E12</double>
          <double>5.892360678912E12</double>
          <double>5.892446352384E12</double>
          <double>5.892534476032E12</double>
          <double>5.892606251776E12</double>
          <double>5.89265408128E12</double>
          <double>5.892683322368E12</double>
          <double>5.892702617856E12</double>
          <double>5.892717331712E12</double>
          <double>5.892733710592E12</double>
          <double>5.892764820992E12</double>
          <double>5.892824233984E12</double>
          <double>5.892908423424E12</double>
          <double>5.892989544704E12</double>
          <double>5.893036540672E12</double>
          <double>5.89304694016E12</double>
          <double>5.893048301568E12</double>
          <double>5.893061635584E12</double>
          <double>5.89307388928E12</double>
          <double>5.893059366912E12</double>
          <double>5.89302026496E12</double>
          <double>5.892986787072E12</double>
          <double>5.892978401536E12</double>
          <double>5.892987069184E12</double>
          <double>5.893005233152E12</double>
          <double>5.893046912E12</double>
          <double>5.893122926592E12</double>
          <double>5.893211856896E12</double>
          <double>5.893281102592E12</double>
          <double>5.893330867712E12</double>
          <double>5.893390601472E12</double>
          <double>5.89346803456E12</double>
          <double>5.89352647552E12</double>
          <double>5.893526747392E12</double>
          <double>5.893476418048E12</double>
          <double>5.893421825792E12</double>
          <double>5.893400277248E12</double>
          <double>5.89341511296E12</double>
          <double>5.893451935488E12</double>
          <double>5.893451935488E12</double>
        </data>
        <size>
          <int>463</int>
        </size>
        <fullSize>
          <int>463</int>
        </fullSize>
        <fullRange>
          <PhysicalRange>
            <start>2.6140960439444942</start>
            <end>2.501103478401257</end>
            <ref>599.89996423</ref>
            <unit>ppm</unit>
          </PhysicalRange>
        </fullRange>
        <intensityRange class="PhysicalRange">
          <start>1.0587904E7</start>
          <end>5.893526747392E12</end>
          <ref>1.0</ref>
          <unit></unit>
        </intensityRange>
        <integratedIndexRange class="de.bruker.nmr.jview.data.IndexRange">
          <start>41111</start>
          <num>463</num>
        </integratedIndexRange>
        <normalizingFactor>1.0</normalizingFactor>
        <iBias>0.0</iBias>
        <iSlope>0.0</iSlope>
        <baselineCorr>false</baselineCorr>
        <baselinePoints>4</baselinePoints>
        <thisCluster>5678</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>-8.3795456E7</double>
          <double>-1.49796864E8</double>
          <double>-2.14310656E8</double>
          <double>-2.80772096E8</double>
          <double>-3.37481216E8</double>
          <double>-3.77782528E8</double>
          <double>-4.10307584E8</double>
          <double>-4.51584E8</double>
          <double>-5.15438336E8</double>
          <double>-6.03618304E8</double>
          <double>-6.9797376E8</double>
          <double>-7.68005376E8</double>
          <double>-7.97645568E8</double>
          <double>-8.02681088E8</double>
          <double>-8.13796864E8</double>
          <double>-8.46031616E8</double>
          <double>-8.92437504E8</double>
          <double>-9.41167104E8</double>
          <double>-9.8631168E8</double>
          <double>-1.02511872E9</double>
          <double>-1.058430208E9</double>
          <double>-1.095516672E9</double>
          <double>-1.147862272E9</double>
          <double>-1.215639808E9</double>
          <double>-1.288012288E9</double>
          <double>-1.35729152E9</double>
          <double>-1.424091392E9</double>
          <double>-1.487209216E9</double>
          <double>-1.537358592E9</double>
          <double>-1.564382464E9</double>
          <double>-1.564855296E9</double>
          <double>-1.54150784E9</double>
          <double>-1.50247808E9</double>
          <double>-1.462993408E9</double>
          <double>-1.439128064E9</double>
          <double>-1.43344384E9</double>
          <double>-1.429885952E9</double>
          <double>-1.407180032E9</double>
          <double>-1.35723136E9</double>
          <double>-1.291391744E9</double>
          <double>-1.232366592E9</double>
          <double>-1.199343616E9</double>
          <double>-1.195116544E9</double>
          <double>-1.204651008E9</double>
          <double>-1.208153856E9</double>
          <double>-1.196390144E9</double>
          <double>-1.172649728E9</double>
          <double>-1.14342144E9</double>
          <double>-1.112344576E9</double>
          <double>-1.08073728E9</double>
          <double>-1.045750272E9</double>
          <double>-9.96385536E8</double>
          <double>-9.18877952E8</double>
          <double>-8.1151104E8</double>
          <double>-6.91683584E8</double>
          <double>-5.84463872E8</double>
          <double>-5.03584512E8</double>
          <double>-4.42761984E8</double>
          <double>-3.82653696E8</double>
          <double>-3.05942272E8</double>
          <double>-2.09641984E8</double>
          <double>-1.05821952E8</double>
          <double>-8754432.0</double>
          <double>8.212864E7</double>
          <double>1.87515136E8</double>
          <double>3.33820672E8</double>
          <double>5.29819648E8</double>
          <double>7.57257984E8</double>
          <double>9.880256E8</double>
          <double>1.21113088E9</double>
          <double>1.437065216E9</double>
          <double>1.673176064E9</double>
          <double>1.903976448E9</double>
          <double>2.104982016E9</double>
          <double>2.26897024E9</double>
          <double>2.405458176E9</double>
          <double>2.519446016E9</double>
          <double>2.609181952E9</double>
          <double>2.685472E9</double>
          <double>2.771970048E9</double>
          <double>2.877653248E9</double>
          <double>2.986646272E9</double>
          <double>3.086780672E9</double>
          <double>3.19173248E9</double>
          <double>3.319192832E9</double>
          <double>3.46067584E9</double>
          <double>3.59263104E9</double>
          <double>3.709912576E9</double>
          <double>3.828430336E9</double>
          <double>3.956645376E9</double>
          <double>4.081238016E9</double>
          <double>4.182085376E9</double>
          <double>4.249012992E9</double>
          <double>4.283196672E9</double>
          <double>4.2926144E9</double>
          <double>4.287378944E9</double>
          <double>4.27272448E9</double>
          <double>4.247195392E9</double>
          <double>4.210729472E9</double>
          <double>4.167604224E9</double>
          <double>4.116698624E9</double>
          <double>4.05065728E9</double>
          <double>3.975065088E9</double>
          <double>3.917000704E9</double>
          <double>3.900146176E9</double>
          <double>3.919251968E9</double>
          <double>3.952306688E9</double>
          <double>3.989465088E9</double>
          <double>4.03708288E9</double>
          <double>4.104462848E9</double>
          <double>4.203232E9</double>
          <double>4.349097216E9</double>
          <double>4.544423168E9</double>
          <double>4.766334976E9</double>
          <double>4.990146304E9</double>
          <double>5.217044992E9</double>
          <double>5.462818816E9</double>
          <double>5.73277824E9</double>
          <double>6.02992512E9</double>
          <double>6.376065024E9</double>
          <double>6.80203904E9</double>
          <double>7.331714048E9</double>
          <double>8.003510528E9</double>
          <double>8.894788608E9</double>
          <double>1.0098882304E10</double>
          <double>1.1703021056E10</double>
          <double>1.3834352384E10</double>
          <double>1.6713252864E10</double>
          <double>2.0614343936E10</double>
          <double>2.5794949888E10</double>
          <double>3.2530845184E10</double>
          <double>4.1217145856E10</double>
          <double>5.2340365056E10</double>
          <double>6.6286326528E10</double>
          <double>8.3164247296E10</double>
          <double>1.02747335424E11</double>
          <double>1.244417728E11</double>
          <double>1.47271869184E11</double>
          <double>1.70046884864E11</double>
          <double>1.91737002496E11</double>
          <double>2.11776558592E11</double>
          <double>2.30054087168E11</double>
          <double>2.4671516672E11</double>
          <double>2.62033043712E11</double>
          <double>2.76361807104E11</double>
          <double>2.90061505792E11</double>
          <double>3.0345975424E11</double>
          <double>3.16965357056E11</double>
          <double>3.31196054784E11</double>
          <double>3.46879905536E11</double>
          <double>3.6458377344E11</double>
          <double>3.84541705728E11</double>
          <double>4.06640586496E11</double>
          <double>4.30386398464E11</double>
          <double>4.54857378816E11</double>
          <double>4.78887069696E11</double>
          <double>5.01494471168E11</double>
          <double>5.22193267968E11</double>
          <double>5.40912743424E11</double>
          <double>5.57724093696E11</double>
          <double>5.72698660352E11</double>
          <double>5.85917233152E11</double>
          <double>5.97462473216E11</double>
          <double>6.07387531008E11</double>
          <double>6.1576584192E11</double>
          <double>6.2277490688E11</double>
          <double>6.28673080576E11</double>
          <double>6.33692159488E11</double>
          <double>6.37995747072E11</double>
          <double>6.4172477184E11</double>
          <double>6.4501463552E11</double>
          <double>6.4795525504E11</double>
          <double>6.505842048E11</double>
          <double>6.52934290176E11</double>
          <double>6.55052992256E11</double>
          <double>6.56973369344E11</double>
          <double>6.58711266816E11</double>
          <double>6.60303164928E11</double>
          <double>6.61806043392E11</double>
          <double>6.63244132096E11</double>
          <double>6.64592581632E11</double>
          <double>6.65832616704E11</double>
          <double>6.66990129664E11</double>
          <double>6.68098851328E11</double>
          <double>6.69156033536E11</double>
          <double>6.70141690624E11</double>
          <double>6.71058964224E11</double>
          <double>6.71926192128E11</double>
          <double>6.72743250432E11</double>
          <double>6.73494865152E11</double>
          <double>6.74183315968E11</double>
          <double>6.74835305728E11</double>
          <double>6.75474768384E11</double>
          <double>6.7610255744E11</double>
          <double>6.76703807488E11</double>
          <double>6.77266657792E11</double>
          <double>6.77794956288E11</double>
          <double>6.7830890496E11</double>
          <double>6.78830677248E11</double>
          <double>6.79364630016E11</double>
          <double>6.79894804736E11</double>
          <double>6.80403723008E11</double>
          <double>6.80886886912E11</double>
          <double>6.81347058432E11</double>
          <double>6.81785342976E11</double>
          <double>6.82204390912E11</double>
          <double>6.826103488E11</double>
          <double>6.83002434048E11</double>
          <double>6.83368115968E11</double>
          <double>6.83698924032E11</double>
          <double>6.84006601728E11</double>
          <double>6.84314003968E11</double>
          <double>6.84631698176E11</double>
          <double>6.84950624768E11</double>
          <double>6.85256611328E11</double>
          <double>6.85546353152E11</double>
          <double>6.85829111296E11</double>
          <double>6.86115448064E11</double>
          <double>6.8640373632E11</double>
          <double>6.86678539008E11</double>
          <double>6.86926759936E11</double>
          <double>6.87154444544E11</double>
          <double>6.87379836928E11</double>
          <double>6.876097792E11</double>
          <double>6.87834368768E11</double>
          <double>6.88048335616E11</double>
          <double>6.8826371328E11</double>
          <double>6.88491794176E11</double>
          <double>6.88724577536E11</double>
          <double>6.88947727104E11</double>
          <double>6.89162634496E11</double>
          <double>6.89378486016E11</double>
          <double>6.8958816E11</double>
          <double>6.89773858304E11</double>
          <double>6.89940390656E11</double>
          <double>6.90123309824E11</double>
          <double>6.90352140544E11</double>
          <double>6.90616235008E11</double>
          <double>6.9087758976E11</double>
          <double>6.91109198848E11</double>
          <double>6.913099904E11</double>
          <double>6.913099904E11</double>
        </data>
        <size>
          <int>242</int>
        </size>
        <fullSize>
          <int>242</int>
        </fullSize>
        <fullRange>
          <PhysicalRange>
            <start>5.713565271497417</start>
            <end>5.654623262198889</end>
            <ref>599.89996423</ref>
            <unit>ppm</unit>
          </PhysicalRange>
        </fullRange>
        <intensityRange class="PhysicalRange">
          <start>-1.564855296E9</start>
          <end>6.913099904E11</end>
          <ref>1.0</ref>
          <unit></unit>
        </intensityRange>
        <integratedIndexRange class="de.bruker.nmr.jview.data.IndexRange">
          <start>28438</start>
          <num>242</num>
        </integratedIndexRange>
        <normalizingFactor>1.0</normalizingFactor>
        <iBias>0.0</iBias>
        <iSlope>0.0</iSlope>
        <baselineCorr>false</baselineCorr>
        <baselinePoints>4</baselinePoints>
        <thisCluster>5679</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>1.0</protonContent>
        <isConsistent>true</isConsistent>
        <usedForEretic>true</usedForEretic>
        <concentration>0.6947394995111557</concentration>
      </PeakCluster>
      <PeakCluster>
        <properties/>
        <dataType>INTEGRAL</dataType>
        <dataName>name not defined</dataName>
        <selected>false</selected>
        <dataVisible>true</dataVisible>
        <dimension>1</dimension>
        <data>
          <double>-5.2312576E7</double>
          <double>-9.0701824E7</double>
          <double>-1.08340736E8</double>
          <double>-1.02665728E8</double>
          <double>-8.1079296E7</double>
          <double>-5.34976E7</double>
          <double>-1.4331392E7</double>
          <double>5.3964032E7</double>
          <double>1.5488E8</double>
          <double>2.70002176E8</double>
          <double>3.82189568E8</double>
          <double>4.92162048E8</double>
          <double>6.07203584E8</double>
          <double>7.29684992E8</double>
          <double>8.64789504E8</double>
          <double>1.024762624E9</double>
          <double>1.215455744E9</double>
          <double>1.42959872E9</double>
          <double>1.65998848E9</double>
          <double>1.906083584E9</double>
          <double>2.160440064E9</double>
          <double>2.404730624E9</double>
          <double>2.632020224E9</double>
          <double>2.861939456E9</double>
          <double>3.122990592E9</double>
          <double>3.431396608E9</double>
          <double>3.799305216E9</double>
          <double>4.252820992E9</double>
          <double>4.829026304E9</double>
          <double>5.567106304E9</double>
          <double>6.522531584E9</double>
          <double>7.790953728E9</double>
          <double>9.511460352E9</double>
          <double>1.1856717824E10</double>
          <double>1.5037860608E10</double>
          <double>1.9321414144E10</double>
          <double>2.5034740224E10</double>
          <double>3.255614464E10</double>
          <double>4.2295224832E10</double>
          <double>5.4647242752E10</double>
          <double>6.9903463168E10</double>
          <double>8.8135674112E10</double>
          <double>1.09097933056E11</double>
          <double>1.32183616256E11</double>
          <double>1.56474628864E11</double>
          <double>1.80910102528E11</double>
          <double>2.04535389184E11</double>
          <double>2.26711072768E11</double>
          <double>2.47178250496E11</double>
          <double>2.65989387264E11</double>
          <double>2.83390602752E11</double>
          <double>2.99719847936E11</double>
          <double>3.15348048896E11</double>
          <double>3.30685829376E11</double>
          <double>3.46243760128E11</double>
          <double>3.6266045696E11</double>
          <double>3.8061365504E11</double>
          <double>4.00640548352E11</double>
          <double>4.22974259712E11</double>
          <double>4.47457308672E11</double>
          <double>4.73527955456E11</double>
          <double>5.00298151936E11</double>
          <double>5.26758825728E11</double>
          <double>5.5204948096E11</double>
          <double>5.7562879488E11</double>
          <double>5.97255344384E11</double>
          <double>6.1686169344E11</double>
          <double>6.34457324288E11</double>
          <double>6.50094530816E11</double>
          <double>6.63854162432E11</double>
          <double>6.7583677312E11</double>
          <double>6.86173691904E11</double>
          <double>6.95039924224E11</double>
          <double>7.02638045184E11</double>
          <double>7.09169126656E11</double>
          <double>7.14825613056E11</double>
          <double>7.19792556544E11</double>
          <double>7.24222363648E11</double>
          <double>7.28203758336E11</double>
          <double>7.31777815808E11</double>
          <double>7.34991590144E11</double>
          <double>7.37920457472E11</double>
          <double>7.40636386304E11</double>
          <double>7.43178093824E11</double>
          <double>7.4556523904E11</double>
          <double>7.47824333312E11</double>
          <double>7.49983714304E11</double>
          <double>7.52054594304E11</double>
          <double>7.54037104128E11</double>
          <double>7.5594341632E11</double>
          <double>7.57800086784E11</double>
          <double>7.59625820928E11</double>
          <double>7.61417616128E11</double>
          <double>7.63161836288E11</double>
          <double>7.64850919424E11</double>
          <double>7.66484717824E11</double>
          <double>7.6806036736E11</double>
          <double>7.69567138048E11</double>
          <double>7.70993320704E11</double>
          <double>7.72337734912E11</double>
          <double>7.73612670976E11</double>
          <double>7.74833061632E11</double>
          <double>7.7600316032E11</double>
          <double>7.77117128192E11</double>
          <double>7.78172690432E11</double>
          <double>7.79179831808E11</double>
          <double>7.80155490048E11</double>
          <double>7.81115213824E11</double>
          <double>7.82071291904E11</double>
          <double>7.83031373568E11</double>
          <double>7.83993856256E11</double>
          <double>7.84950131712E11</double>
          <double>7.85896381696E11</double>
          <double>7.8683793152E11</double>
          <double>7.87777599232E11</double>
          <double>7.88707536384E11</double>
          <double>7.89619954432E11</double>
          <double>7.90517546752E11</double>
          <double>7.9140214656E11</double>
          <double>7.92260652544E11</double>
          <double>7.93078700288E11</double>
          <double>7.93866667776E11</double>
          <double>7.9465557888E11</double>
          <double>7.95464213248E11</double>
          <double>7.96283403264E11</double>
          <double>7.97094579712E11</double>
          <double>7.97888760576E11</double>
          <double>7.98664306944E11</double>
          <double>7.99424310272E11</double>
          <double>8.00184324096E11</double>
          <double>8.00964699392E11</double>
          <double>8.01762943744E11</double>
          <double>8.0255009408E11</double>
          <double>8.03309565184E11</double>
          <double>8.04063360512E11</double>
          <double>8.0483978624E11</double>
          <double>8.05629152256E11</double>
          <double>8.06396538112E11</double>
          <double>8.0712910208E11</double>
          <double>8.07842341888E11</double>
          <double>8.08544294912E11</double>
          <double>8.09226588672E11</double>
          <double>8.09895629312E11</double>
          <double>8.10580528384E11</double>
          <double>8.11296451328E11</double>
          <double>8.12025281792E11</double>
          <double>8.12746764288E11</double>
          <double>8.13464093184E11</double>
          <double>8.14181117952E11</double>
          <double>8.14879937024E11</double>
          <double>8.1554853248E11</double>
          <double>8.1621319552E11</double>
          <double>8.16912048384E11</double>
          <double>8.1764326656E11</double>
          <double>8.18367082752E11</double>
          <double>8.18367082752E11</double>
        </data>
        <size>
          <int>156</int>
        </size>
        <fullSize>
          <int>156</int>
        </fullSize>
        <fullRange>
          <PhysicalRange>
            <start>7.346087728209779</start>
            <end>7.308178967042676</end>
            <ref>599.89996423</ref>
            <unit>ppm</unit>
          </PhysicalRange>
        </fullRange>
        <intensityRange class="PhysicalRange">
          <start>-1.08340736E8</start>
          <end>8.18367082752E11</end>
          <ref>1.0</ref>
          <unit></unit>
        </intensityRange>
        <integratedIndexRange class="de.bruker.nmr.jview.data.IndexRange">
          <start>21763</start>
          <num>156</num>
        </integratedIndexRange>
        <normalizingFactor>1.0</normalizingFactor>
        <iBias>0.0</iBias>
        <iSlope>0.0</iSlope>
        <baselineCorr>false</baselineCorr>
        <baselinePoints>4</baselinePoints>
        <thisCluster>5680</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>1.0</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>-1.1166464E7</double>
          <double>1.5441152E7</double>
          <double>4.711552E7</double>
          <double>5.6706048E7</double>
          <double>4.7908352E7</double>
          <double>4.6156544E7</double>
          <double>7.2296448E7</double>
          <double>1.2539776E8</double>
          <double>1.86329856E8</double>
          <double>2.35140352E8</double>
          <double>2.6496384E8</double>
          <double>2.81765632E8</double>
          <double>2.96059136E8</double>
          <double>3.17153024E8</double>
          <double>3.49499136E8</double>
          <double>3.88102144E8</double>
          <double>4.20204544E8</double>
          <double>4.3774976E8</double>
          <double>4.4716672E8</double>
          <double>4.6272384E8</double>
          <double>4.92449024E8</double>
          <double>5.33647104E8</double>
          <double>5.77069824E8</double>
          <double>6.10468864E8</double>
          <double>6.2451712E8</double>
          <double>6.23104768E8</double>
          <double>6.22763776E8</double>
          <double>6.34352896E8</double>
          <double>6.5145344E8</double>
          <double>6.6535168E8</double>
          <double>6.83075584E8</double>
          <double>7.17771264E8</double>
          <double>7.68392192E8</double>
          <double>8.25093632E8</double>
          <double>8.90710272E8</double>
          <double>9.79985664E8</double>
          <double>1.099996416E9</double>
          <double>1.249261568E9</double>
          <double>1.434104832E9</double>
          <double>1.662982144E9</double>
          <double>1.91985536E9</double>
          <double>2.165688576E9</double>
          <double>2.378244608E9</double>
          <double>2.574641664E9</double>
          <double>2.78304768E9</double>
          <double>3.005279744E9</double>
          <double>3.218669824E9</double>
          <double>3.402971904E9</double>
          <double>3.55299712E9</double>
          <double>3.673408256E9</double>
          <double>3.772539648E9</double>
          <double>3.855759104E9</double>
          <double>3.91767808E9</double>
          <double>3.947997952E9</double>
          <double>3.950072576E9</double>
          <double>3.943061248E9</double>
          <double>3.939268352E9</double>
          <double>3.931652352E9</double>
          <double>3.912150272E9</double>
          <double>3.888886528E9</double>
          <double>3.873361152E9</double>
          <double>3.862349568E9</double>
          <double>3.8458688E9</double>
          <double>3.823283968E9</double>
          <double>3.798547968E9</double>
          <double>3.769722112E9</double>
          <double>3.737769472E9</double>
          <double>3.715994368E9</double>
          <double>3.714063104E9</double>
          <double>3.720252672E9</double>
          <double>3.716732672E9</double>
          <double>3.706370816E9</double>
          <double>3.707283712E9</double>
          <double>3.726781696E9</double>
          <double>3.758989824E9</double>
          <double>3.801810176E9</double>
          <double>3.853253888E9</double>
          <double>3.893502208E9</double>
          <double>3.897476352E9</double>
          <double>3.871781376E9</double>
          <double>3.856093184E9</double>
          <double>3.875800064E9</double>
          <double>3.875800064E9</double>
        </data>
        <size>
          <int>83</int>
        </size>
        <fullSize>
          <int>83</int>
        </fullSize>
        <fullRange>
          <PhysicalRange>
            <start>0.04608319068909417</start>
            <end>0.02602823316843228</end>
            <ref>599.89996423</ref>
            <unit>ppm</unit>
          </PhysicalRange>
        </fullRange>
        <intensityRange class="PhysicalRange">
          <start>-1.1166464E7</start>
          <end>3.950072576E9</end>
          <ref>1.0</ref>
          <unit></unit>
        </intensityRange>
        <integratedIndexRange class="de.bruker.nmr.jview.data.IndexRange">
          <start>51611</start>
          <num>83</num>
        </integratedIndexRange>
        <normalizingFactor>1.0</normalizingFactor>
        <iBias>0.0</iBias>
        <iSlope>0.0</iSlope>
        <baselineCorr>false</baselineCorr>
        <baselinePoints>4</baselinePoints>
        <thisCluster>5681</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="Medium"/>
  </prop>
</CmcaProject>