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Cyanoacetic acid

CAS372-09-8

MFC3H3NO2

MW85.06

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  • Mass

    MS-NW-1851          
    cyanoacetic acid
    C3H3NO2             (Mass of molecular ion:     85)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          12.0       4.4
          13.0       1.6
          14.0       7.2
          15.0       1.3
          16.0       5.7
          17.0       1.0
          18.0       5.2
          22.0       1.1
          24.0       1.1
          25.0       2.1
          26.0       2.3
          27.0       1.5
          28.0       7.9
          38.0      11.7
          39.0      18.6
          40.0      50.0
          41.0      94.9
          42.0       2.5
          44.0     100.0
          45.0       1.1
    

parameter in DMSO-d6

90 MHz in DMSO-d6


  • 1H NMR 300 MHz
    C3 H3 N O2 0.040 g : 0.5 ml DMSO-d6
    cyanoacetic acid
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 3.844

         Hz     ppm     Int.
    

       1153.20   3.844   1000
    


  • 1H NMR 89.56 MHz
    C3 H3 N O2 0.070 g : 0.5 ml DMSO-d6
    cyanoacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12. B 3.823

         Hz     ppm     Int.
    

        346.48   3.869     26
        342.58   3.826   1000
        338.48   3.780     30
        337.60   3.770     26
    

in D2O



KBr disc



liquid film



4880 A,200 M,powder



UV PHOTOLYSIS IN H2O, H2O2, 30C