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123-56-8

丁二酰亚胺(123-56-8)质谱(MS)

产品名称:丁二酰亚胺

CAS:123-56-8

分子式:C4H5NO2

分子量: 99.09

InChI:InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)

InChIKey: KZNICNPSHKQLFF-UHFFFAOYSA-N

Smiles:N1C(=O)CCC1=O

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    Mass

    MS-NW-0421          
    succinimide
    C4H5NO2             (Mass of molecular ion:     99)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       1.2
          26.0       8.4
          27.0      10.7
          28.0      82.8
          29.0       1.9
          42.0       4.5
          43.0       2.6
          44.0       2.4
          53.0       1.4
          55.0       5.3
          56.0      58.8
          57.0       2.0
          70.0       4.2
          99.0     100.0
         100.0       5.1
    

400 MHz in CDCl3

90 MHz in D2O

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    1H NMR 399.65 MHz
    C4 H5 N O2 0.038 g : 0.5 ml CDCl3
    succinimide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.9 B 2.769

         Hz     ppm     Int.
    

       1106.69   2.770   1000
    

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    1H NMR 89.56 MHz
    C4 H5 N O2 0.041 g : 0.5 ml D2O
    succinimide
    ChemicalStructure
        Assign.     Shift(ppm)
    B 2.810 THE SOLVENT SIGNAL REMOVED.

         Hz     ppm     Int.
    

        251.75   2.811   1000
    

in CDCl3

in D2O

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KBr disc

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nujol mull

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