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网站主页CAS数据库列表 541-31-1更多图谱异戊硫醇(541-31-1)核磁图(1HNMR)

异戊硫醇

产品名称 异戊硫醇

CAS号541-31-1

分子式C5H12S

分子量104.21

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  • Mass

    MS-NW-3725          
    3-methyl-1-butanethiol
    C5H12S              (Mass of molecular ion:    104)
    

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

          15.0       1.6
          26.0       1.6
          27.0      21.9
          28.0       3.5
          29.0      22.7
          34.0       1.2
          35.0       3.6
          38.0       1.3
          39.0      14.1
          40.0       2.0
          41.0      39.1
          42.0      39.1
          43.0      44.9
          44.0       1.6
          45.0       6.5
          46.0       3.4
          47.0      26.2
          48.0       1.6
          49.0       1.5
          50.0       1.0
          51.0       1.2
          53.0       3.1
          54.0       2.0
          55.0     100.0
          56.0       6.6
          57.0       7.4
          58.0       1.8
          59.0       2.9
          60.0       5.6
          61.0      29.8
          62.0       2.6
          63.0       1.7
          69.0       3.8
          70.0      97.6
          71.0      10.0
         104.0      26.2
         105.0       1.8
         106.0       1.3
         206.0       1.4
    

90 MHz in CDCl3

400 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C5 H12 S 0.04 ml : 0.5 ml CDCl3
    3-methyl-1-butanethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.53 B 1.72 C 1.49 D 1.30 E 0.898

         Hz     ppm     Int.
    

        238.69   2.666     59
        237.88   2.657     65
        230.69   2.576    140
        228.81   2.555     41
        223.44   2.495    196
        222.31   2.483     49
        221.25   2.471     44
        216.25   2.415     92
        215.56   2.407     71
        154.38   1.724     38
        148.31   1.656     39
        144.88   1.618     64
        143.94   1.608     85
        142.13   1.587     46
        141.56   1.581     45
        140.50   1.569     34
        138.75   1.550     92
        136.81   1.528    131
        135.75   1.516     92
        132.44   1.479     50
        131.13   1.465     40
        129.69   1.449    159
        123.94   1.384    230
        122.31   1.366     37
        116.50   1.301    184
        108.81   1.215    140
         83.19   0.929   1000
         79.63   0.890     41
         77.13   0.862    827
    


  • 1H NMR 399.65 MHz
    C5 H12 S 0.05 ml : 0.5 ml CDCl3
    3-methyl-1-butanethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.531 B 1.709 C 1.504 D 1.310 E 0.896 J(A,D)=7.6HZ.

         Hz     ppm     Int.
    

       1023.19   2.561    125
       1017.82   2.547     39
       1016.72   2.545     92
       1015.63   2.542    240
       1014.53   2.539     89
       1013.92   2.538     71
       1013.55   2.537     74
       1010.13   2.528     38
       1009.16   2.526     91
       1008.06   2.523    244
       1006.35   2.519     73
       1005.86   2.517     69
       1000.37   2.504    130
        697.14   1.745     39
        690.43   1.728     74
        683.84   1.712     94
        677.12   1.695     82
        670.29   1.678     45
        611.57   1.531    131
        605.96   1.517     65
        604.86   1.514    165
        604.00   1.512    185
        603.03   1.509     88
        602.29   1.508     73
        598.63   1.498     76
        596.44   1.493    193
        595.34   1.490     78
        589.48   1.475     98
        530.88   1.329    160
        523.32   1.310    283
        515.75   1.291    142
        361.33   0.905   1000
        354.74   0.888    935
    

in CDCl3



liquid film