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105-56-6

氰乙酸乙酯(105-56-6)核磁图(1HNMR)

产品名称:氰乙酸乙酯

CAS:105-56-6

分子式:C5H7NO2

分子量: 113.11

InChI:InChI=1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3

InChIKey: ZIUSEGSNTOUIPT-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1495          
    ethyl cyanoacetate
    C5H7NO2             (Mass of molecular ion:    113)
    

       Source Temperature: 250 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          14.0       1.5
          15.0       3.6
          26.0       4.0
          27.0      22.5
          28.0      10.0
          29.0     100.0
          30.0       2.2
          31.0       3.0
          38.0       1.8
          39.0       3.6
          40.0      17.5
          41.0      13.0
          42.0       4.8
          43.0       6.3
          44.0       1.6
          45.0       9.9
          54.0       1.3
          60.0       1.0
          67.0       1.7
          68.0      71.0
          69.0       2.8
          86.0      10.6
         113.0       1.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H7 N O2 0.04 ml : 0.5 ml CDCl3
    ethyl cyanoacetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.270 B 3.477 C 1.326

         Hz     ppm     Int.
    

        393.38   4.393     94
        386.19   4.313    297
        379.06   4.233    313
        372.00   4.154    109
        311.44   3.478   1000
        125.69   1.404    385
        118.56   1.324    801
        116.25   1.299     26
        111.38   1.244    341
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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UV PHOTOLYSIS IN T-BUTYL ALCOHOL, H2O2, 35C

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