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372-09-8

氰乙酸(372-09-8)Raman光譜

產(chǎn)品名稱:氰乙酸

CAS:372-09-8

分子式:C3H3NO2

分子量: 85.06

InChI:InChI=1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)

InChIKey: MLIREBYILWEBDM-UHFFFAOYSA-N

Smiles:C(O)(=O)CC#N

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

    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

  • 圖譜

KBr disc

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,powder

  • 圖譜

UV PHOTOLYSIS IN H2O, H2O2, 30C

  • 圖譜

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