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623-49-4

氰基甲酸乙酯(623-49-4)核磁图(1HNMR)

产品名称:氰基甲酸乙酯

CAS:623-49-4

分子式:C4H5NO2

分子量: 99.09

InChI:InChI=1S/C4H5NO2/c1-2-7-4(6)3-5/h2H2,1H3

InChIKey: MSMGXWFHBSCQFB-UHFFFAOYSA-N

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

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    Mass

    MS-IW-4040          
    ethyl cyanoformate
    C4H5NO2             (Mass of molecular ion:     99)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          14.0       1.3
          15.0       4.2
          26.0       6.7
          27.0      21.4
          28.0      84.8
          29.0      75.1
          30.0       2.6
          41.0       1.1
          42.0       2.0
          43.0       8.8
          44.0       2.5
          45.0       8.2
          54.0     100.0
          55.0       4.7
          70.0       1.1
          72.0       6.5
          84.0      56.7
          85.0       2.1
          98.0       7.3
    

parameter in CDCl3

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    1H NMR 300 MHz
    C4 H5 N O2 0.05 ml : 0.5 ml CDCl3
    ethyl cyanoformate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.412 D(B) 1.394 J(A,B) 7.2

         Hz     ppm     Int.
    

       1334.45   4.448    163
       1327.26   4.424    494
       1320.04   4.400    502
       1312.86   4.376    171
        425.36   1.418    507
        418.20   1.394   1000
        410.99   1.370    491
    

in CDCl3

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liquid film

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