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18936-17-9

2-甲基丁腈(18936-17-9)红外图谱(IR1)

产品名称:2-甲基丁腈

CAS:18936-17-9

分子式:C5H9N

分子量: 83.13

InChI:InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3

InChIKey: RCEJCSULJQNRQQ-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1030          
    2-methylbutyronitrile
    C5H9N               (Mass of molecular ion:     83)
    

       Source Temperature: 250 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          15.0       1.4
          18.0       1.0
          26.0       3.1
          27.0      14.3
          28.0       6.0
          29.0      24.4
          38.0       1.2
          39.0       5.7
          40.0       1.4
          41.0       8.6
          42.0       1.3
          51.0       1.5
          52.0       2.6
          53.0       1.5
          54.0      37.8
          55.0     100.0
          56.0       4.7
          68.0       1.3
          82.0       1.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H9 N 0.04 ml : 0.5 ml CDCl3
    2-methylbutyronitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.552 B 1.63 C 1.316 D 1.08

         Hz     ppm     Int.
    

        233.69   2.610     96
        226.56   2.530    118
        219.38   2.450     70
        153.56   1.715    127
        153.13   1.710    135
        146.94   1.641    112
        145.81   1.629    204
        139.88   1.562     81
        139.00   1.553    211
        121.00   1.352   1000
        114.00   1.273    818
        104.31   1.165    164
        103.44   1.155    298
        102.63   1.146    212
         96.75   1.081    541
         95.88   1.071    269
         94.94   1.061    137
         89.88   1.004     87
         88.88   0.993    157
         87.50   0.977    102
    

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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