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699-98-9

2,3-吡啶二羧酸酐(699-98-9)质谱(MS)

产品名称:2,3-吡啶二羧酸酐

CAS:699-98-9

分子式:C7H3NO3

分子量: 149.1

InChI:InChI=1S/C7H3NO3/c9-6-4-2-1-3-8-5(4)7(10)11-6/h1-3H

InChIKey: MCQOWYALZVKMAR-UHFFFAOYSA-N

Smiles:C12C(=O)OC(=O)C1=CC=CN=2

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    Mass

    MS-NW-7351          
    2,3-pyridinedicarboxylic anhydride
    C7H3NO3             (Mass of molecular ion:    149)
    

       Source Temperature: 170 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          25.0       1.1
          26.0       9.4
          28.0       2.2
          36.0       1.4
          37.0       5.7
          38.0       8.3
          38.5      10.1
          39.0       3.6
          44.0       1.9
          48.0       2.0
          49.0      10.9
          50.0      40.7
          51.0      12.9
          52.0       3.6
          52.5       6.1
          53.0       3.0
          74.0       1.2
          75.0       9.2
          76.0      20.6
          77.0      95.1
          78.0       7.7
          79.0       1.0
         105.0     100.0
         106.0       7.6
         123.0       3.5
         149.0      12.7
         150.0       1.2
    

90 MHz in DMSO-d6

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    1H NMR 89.56 MHz
    C7 H3 N O3 0.044 g : 0.5 ml DMSO-d6
    2,3-pyridinedicarboxylic anhydride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.149 B 8.532 C 7.951

         Hz     ppm     Int.
    

        822.69   9.186    711
        821.25   9.170    734
        817.88   9.133    794
        816.38   9.116    780
        813.94   9.089     30
        769.31   8.590    735
        767.81   8.574    696
        764.50   8.537     32
        761.50   8.503   1000
        760.00   8.486    883
        758.88   8.474     44
        717.81   8.015    946
        716.25   7.998     33
        715.13   7.985     35
        712.94   7.961    865
        710.00   7.928    703
        705.13   7.874    656
    

in DMSO-d6

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KBr disc

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nujol mull

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