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Back ChemicalBook Home>CAS DataBase List>109-90-0More Spectrum> Ethyl isocyanate(109-90-0) MS

Ethyl isocyanate(109-90-0) MS

Product NameEthyl isocyanate

CAS109-90-0

Molecular FormulaC3H5NO

Molecular Weight71.08

InChIInChI=1S/C3H5NO/c1-2-4-3-5/h2H2,1H3

InChIKey WUDNUHPRLBTKOJ-UHFFFAOYSA-N

SmilesCCN=C=O


  • Mass

    MS-NW-2722          
    ethyl isocyanate
    C3H5NO              (Mass of molecular ion:     71)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.7
          15.0       8.7
          26.0       4.3
          27.0      11.3
          28.0      18.8
          29.0       3.5
          38.0       1.7
          39.0       2.2
          40.0       5.5
          41.0       4.2
          42.0       8.8
          43.0      10.7
          44.0       1.0
          55.0       3.5
          56.0     100.0
          57.0       2.7
          70.0       6.2
          71.0      60.6
          72.0       2.4
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C3 H5 N O 0.05 ml : 0.5 ml CDCl3
    ethyl isocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.33 B 1.294

         Hz     ppm     Int.
    

        309.50   3.456    165
        309.13   3.452    164
        302.00   3.373    686
        294.81   3.292    740
        287.88   3.215    209
        287.56   3.211    203
        122.69   1.370    517
        117.50   1.312     33
        115.63   1.292   1000
        108.31   1.210    429
    

in CDCl3



liquid film





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