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网站主页CAS数据库列表 111-31-9更多图谱1-己硫醇(111-31-9)质谱(MS)

1-己硫醇

产品名称 1-己硫醇

CAS号111-31-9

分子式C6H14S

分子量118.24

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  • Mass

    MS-NW-3797          
    1-hexanethiol
    C6H14S              (Mass of molecular ion:    118)
    

       Source Temperature: 270 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0       1.0
          27.0      15.8
          28.0       3.6
          29.0      15.0
          35.0       1.9
          39.0       9.3
          40.0       1.7
          41.0      34.6
          42.0      31.8
          43.0      47.8
          44.0       1.7
          45.0       4.2
          46.0       2.3
          47.0      14.6
          48.0       1.1
          53.0       1.9
          54.0       2.9
          55.0      34.7
          56.0     100.0
          57.0       6.8
          59.0       1.6
          60.0       2.0
          61.0       9.6
          62.0       1.0
          69.0      25.2
          70.0       1.9
          83.0       1.1
          84.0      15.9
          85.0       2.2
          89.0       2.8
         118.0      30.1
         119.0       2.2
         120.0       1.6
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C6 H14 S 0.04 ml : 0.5 ml CDCl3
    1-hexanethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.514 B 1.61 C 1.49 to 1.20 D 1.320 E 0.894

         Hz     ppm     Int.
    

        237.25   2.650     83
        236.25   2.638     91
        229.44   2.562    331
        222.81   2.488    360
        222.25   2.482    335
        214.88   2.400    188
        151.31   1.690     83
        149.88   1.674     87
        149.38   1.668     87
        145.19   1.622    136
        144.00   1.608    147
        143.56   1.603    151
        142.56   1.592    139
        141.00   1.575    116
        138.75   1.550    132
        137.25   1.533    166
        136.69   1.527    168
        135.63   1.515    147
        131.63   1.470    227
        130.06   1.453    205
        128.19   1.432    204
        125.50   1.402    741
        123.94   1.384    248
        123.25   1.377    245
        120.81   1.349    420
        119.81   1.338    457
        118.00   1.318   1000
        117.63   1.314    964
        115.63   1.292    544
        114.50   1.279    753
        110.19   1.231    561
        108.38   1.211    146
        106.00   1.184     83
        102.75   1.148     49
        102.25   1.142     50
        101.94   1.139     51
        100.38   1.121     36
         98.88   1.105     31
         97.69   1.091     34
         94.44   1.055     32
         94.06   1.051     31
         93.56   1.045     31
         93.13   1.040     32
         92.69   1.035     31
         92.44   1.033     31
         91.75   1.025     33
         90.88   1.015     36
         87.06   0.973    149
         85.38   0.954    235
         82.75   0.924    191
         81.94   0.915    194
         79.81   0.892    848
         73.69   0.823    154
         72.63   0.811    141
    

in CDCl3



liquid film