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Back ChemicalBook Home>CAS DataBase List>628-20-6More Spectrum> 4-Chlorobutyronitrile(628-20-6) MS

4-Chlorobutyronitrile(628-20-6) MS

Molecular FormulaC4H6ClN

Molecular Weight103.55

InChIInChI=1S/C4H6ClN/c5-3-1-2-4-6/h1-3H2

InChIKey ZFCFBWSVQWGOJJ-UHFFFAOYSA-N

SmilesC(#N)CCCCl


  • Mass

    MS-NW-4982          
    4-chlorobutyronitrile
    C4H6ClN             (Mass of molecular ion:    103)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.0
          26.0       3.4
          27.0      24.0
          28.0       4.7
          36.0       1.1
          37.0       1.6
          38.0       2.4
          39.0       7.4
          40.0       4.7
          41.0     100.0
          42.0       3.5
          49.0       8.3
          51.0       2.9
          52.0       2.1
          54.0      17.1
          63.0      12.3
          64.0       1.3
          65.0       3.9
          66.0       3.1
          67.0       4.7
          68.0       2.2
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C4 H6 Cl N 0.02 ml : 0.5 ml CDCl3
    4-chlorobutyronitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.13 B 2.567 C 3.667

         Hz     ppm     Int.
    

        334.88   3.740    738
        329.00   3.674   1000
        322.94   3.606    939
        239.00   2.669    314
        237.69   2.654    301
        232.19   2.593    330
        231.50   2.585    487
        230.88   2.578    940
        224.94   2.512    623
        224.06   2.502    645
        203.44   2.272    151
        202.25   2.259    160
        196.75   2.197    478
        195.75   2.186    179
        194.94   2.177    134
        194.00   2.167     82
        191.25   2.136    304
        190.50   2.128    457
        188.75   2.108    214
        184.50   2.061    257
        182.19   2.035    162
        177.81   1.986     75
        176.38   1.970     75
    

in CDCl3



CCl4 solution



liquid film





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