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        <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>
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            <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>
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            <annotation></annotation>
            <type>UNKNOWN</type>
            <headerIndex>-1</headerIndex>
            <volume>NaN</volume>
            <volumeError>NaN</volumeError>
            <quality>NaN</quality>
            <peakID>10</peakID>
          </Peak1D>
        </list>
        <PeakGroup>
          <default>
            <isF1Folded>false</isF1Folded>
            <isImpurity>false</isImpurity>
            <manuallyCreated>false</manuallyCreated>
            <meanF1LineWidth>0.0</meanF1LineWidth>
            <meanF1LineWidthError>0.0</meanF1LineWidthError>
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            <atomIndex>
              <int>-1</int>
            </atomIndex>
            <corType>UNDEFINED</corType>
            <delta>
              <double>5.0E-4</double>
            </delta>
            <multipletArea>
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                <ref>600.17</ref>
                <unit>ppm</unit>
              </PhysicalRange>
            </multipletArea>
            <name>SUP</name>
            <state>UNDEFINED</state>
          </default>
        </PeakGroup>
        <MultipletPeakGroup1D>
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            <isUnknownMultipletType>false</isUnknownMultipletType>
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            <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>
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              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
              <boolean>true</boolean>
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          </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>
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                <double>2.6091280545931212</double>
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              <indices>
                <double>44150.99999999999</double>
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              <intensity>543181.171875</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
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              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
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            <Peak1D>
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                <double>2.605461115419196</double>
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              <intensity>1152215.3984375</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
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              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>1</peakID>
            </Peak1D>
            <Peak1D>
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                <double>2.602710911038752</double>
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              <indices>
                <double>44186.0</double>
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              <intensity>1532105.65625</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
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              <volume>NaN</volume>
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              <quality>NaN</quality>
              <peakID>2</peakID>
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            <Peak1D>
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                <double>44202.0</double>
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              <intensity>1116088.3984375</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
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              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
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            <Peak1D>
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              <intensity>505458.125</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
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              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
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            <Peak1D>
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                <double>7.693155872281103</double>
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              <intensity>250457.40625</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
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              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>5</peakID>
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            <Peak1D>
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              <annotation></annotation>
              <type>UNKNOWN</type>
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              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>6</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>7.913172222716589</double>
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              <annotation></annotation>
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              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>7</peakID>
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            <Peak1D>
              <positions>
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              <intensity>347637.55078125</intensity>
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              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>8</peakID>
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            <Peak1D>
              <positions>
                <double>8.500615878379335</double>
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              <intensity>521528.10546875</intensity>
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              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>9</peakID>
            </Peak1D>
            <Peak1D>
              <positions>
                <double>4.65</double>
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              <indices>
                <double>33019.798479564</double>
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              <intensity>-3327.7421875</intensity>
              <annotation></annotation>
              <type>UNKNOWN</type>
              <headerIndex>-1</headerIndex>
              <volume>NaN</volume>
              <volumeError>NaN</volumeError>
              <quality>NaN</quality>
              <peakID>10</peakID>
            </Peak1D>
          </peakList>
          <headerList/>
          <units>
            <string>ppm</string>
          </units>
          <peakListFileIOFactoryType>XML</peakListFileIOFactoryType>
          <multipleAddition>false</multipleAddition>
          <modificationDate>2019-05-13 11:34:46.885 UTC</modificationDate>
          <peakListProperties/>
          <peakOrdinal>11</peakOrdinal>
        </peakList>
      </default>
    </MultipletSet1D>
  </multipletSet>
  <prop>
    <property name="PURITY" value="High"/>
    <property name="PURITY_AUTOMATION" value="High"/>
  </prop>
  <projectVersionNumber>1.2</projectVersionNumber>
  <projectState>UserConsistent</projectState>
  <projectStateAutomation>AutoConsistent</projectStateAutomation>
  <resultSummary>Initial Check Not Passed!
Problems with: SUPP_FREQ_FILE Automatic evaluation: Spectrum and structure are in agreement.</resultSummary>
  <resultDetails>Initial Check Not Passed!

Suppression frequencies not readable.
CMC analysis aborted!All major signals in the spectrum could be assigned. Some exchangeable protons have not been assigned. Impurity Imp1 not assigned. Impurity Imp2 not assigned.</resultDetails>
  <resultOrigin>Automatic analysis generated by Bruker CMC (b:143).</resultOrigin>
  <resultSummaryCreatedByAutomation>true</resultSummaryCreatedByAutomation>
  <resultDetailsCreatedByAutomation>true</resultDetailsCreatedByAutomation>
  <manuallyEdited>true</manuallyEdited>
  <molViewOffsetX>0.05</molViewOffsetX>
  <molViewOffsetY>0.1</molViewOffsetY>
  <molViewScale>1.5</molViewScale>
  <projectDataSets/>
  <modifiedSinceReport>true</modifiedSinceReport>
  <predictedShifts>
    <PredictedShift>
      <atomId>0</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>155.0235137939453</double>
      </shift13C>
      <shiftQuality>LOW</shiftQuality>
    </PredictedShift>
    <PredictedShift>
      <atomId>1</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>166.0980682373047</double>
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      <shiftQuality>LOW</shiftQuality>
    </PredictedShift>
    <PredictedShift>
      <atomId>3</atomId>
      <atomSymbol>N</atomSymbol>
      <shift1H>
        <double>10.5</double>
      </shift1H>
      <shiftQualityProton>LOW</shiftQualityProton>
    </PredictedShift>
    <PredictedShift>
      <atomId>7</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>147.89999389648438</double>
      </shift13C>
      <shift1H>
        <double>8.0</double>
      </shift1H>
      <shiftQuality>LOW</shiftQuality>
      <shiftQualityProton>LOW</shiftQualityProton>
    </PredictedShift>
    <PredictedShift>
      <atomId>8</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>143.1922149658203</double>
      </shift13C>
      <shift1H>
        <double>7.743333339691162</double>
      </shift1H>
      <shiftQuality>MEDIUM</shiftQuality>
      <shiftQualityProton>MEDIUM</shiftQualityProton>
    </PredictedShift>
    <PredictedShift>
      <atomId>9</atomId>
      <atomSymbol>C</atomSymbol>
      <shift13C>
        <double>120.21111297607422</double>
      </shift13C>
      <shift1H>
        <double>7.369999885559082</double>
      </shift1H>
      <shiftQuality>MEDIUM</shiftQuality>
      <shiftQualityProton>MEDIUM</shiftQualityProton>
    </PredictedShift>
  </predictedShifts>
</CmcaProject>