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网站主页CAS数据库列表 111-36-4更多图谱异氰酸正丁酯(111-36-4)质谱(MS)

异氰酸正丁酯

产品名称 异氰酸正丁酯

CAS号111-36-4

分子式C5H9NO

分子量99.13

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  • Mass

    MS-NW-3538          
    butyl isocyanate
    C5H9NO              (Mass of molecular ion:     99)
    

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

          14.0       1.1
          15.0       8.3
          26.0       4.8
          27.0      49.8
          28.0      23.5
          29.0      16.7
          30.0      27.7
          37.0       1.0
          38.0       1.9
          39.0      14.3
          40.0       5.5
          41.0      87.7
          42.0      19.1
          43.0     100.0
          44.0       3.5
          53.0       1.0
          54.0       2.4
          55.0       9.0
          56.0      42.5
          57.0       2.9
          58.0       6.5
          70.0      13.4
          71.0       7.9
          82.0       2.2
          84.0       1.1
          98.0      16.6
          99.0       2.8
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C5 H9 N O 0.04 ml : 0.5 ml CDCl3
    butyl isocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.29 B 1.58 C 1.42 D 0.94

         Hz     ppm     Int.
    

        301.38   3.366    289
        299.69   3.347    111
        296.63   3.313    141
        295.00   3.294    942
        288.63   3.223    437
        156.69   1.750     36
        154.06   1.721     32
        152.69   1.705     47
        150.44   1.680     98
        148.25   1.656     84
        144.38   1.613    175
        143.25   1.600    193
        142.75   1.594    197
        141.75   1.583    167
        140.81   1.573    241
        137.81   1.539    320
        136.63   1.526    283
        135.63   1.515    258
        133.69   1.493    255
        132.31   1.478    221
        131.25   1.466    188
        130.31   1.456    220
        128.88   1.440    182
        128.44   1.435    177
        126.63   1.414     79
        125.13   1.398    163
        123.75   1.382    115
        122.81   1.372     98
        121.75   1.360    182
        120.19   1.343     65
        119.25   1.332     79
        118.69   1.326     87
        115.38   1.289    117
        113.88   1.272     65
        109.56   1.224     43
        108.81   1.215     55
         91.69   1.024    231
         90.75   1.014    424
         90.06   1.006    378
         87.06   0.973     94
         84.19   0.941   1000
         82.25   0.919    252
         81.56   0.911    256
         79.56   0.889     96
         78.00   0.871    166
         76.69   0.857    195
         74.88   0.837    110
    

in CDCl3



liquid film