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Back ChemicalBook Home>CAS DataBase List>513-53-1More Spectrum> 2-Butanethiol(513-53-1) IR1

2-Butanethiol(513-53-1) IR1

Product Name2-Butanethiol

CAS513-53-1

Molecular FormulaC4H10S

Molecular Weight90.19

InChIInChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3

InChIKey LOCHFZBWPCLPAN-UHFFFAOYSA-N

SmilesCC(S)CC


  • Mass

    MS-NW-3790          
    2-butanethiol
    C4H10S              (Mass of molecular ion:     90)
    

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

          15.0       1.9
          26.0       3.6
          27.0      27.5
          28.0       6.9
          29.0      71.0
          30.0       1.6
          33.0       1.6
          34.0       1.7
          35.0       9.6
          37.0       1.1
          38.0       1.8
          39.0      18.0
          40.0       2.5
          41.0      96.3
          42.0       6.5
          43.0       4.1
          44.0       1.2
          45.0       8.1
          46.0       1.9
          47.0      13.6
          49.0       1.3
          50.0       1.9
          51.0       1.8
          53.0       2.9
          55.0      12.5
          56.0      21.0
          57.0     100.0
          58.0       4.7
          59.0       7.9
          60.0      12.5
          61.0      79.5
          62.0       3.4
          63.0       3.7
          75.0       5.5
          76.0       2.8
          90.0      75.1
          91.0       4.1
          92.0       3.5
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C4 H10 S 0.04 ml : 0.5 ml CDCl3
    2-butanethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.863 B 1.58 C 1.46 D 1.322 E 0.983

         Hz     ppm     Int.
    

        270.19   3.017     35
        264.06   2.949     78
        257.25   2.873    107
        250.88   2.802     87
        244.13   2.726     45
        157.31   1.757     41
        154.63   1.727     48
        151.38   1.691     40
        150.81   1.684     50
        149.19   1.666    131
        148.38   1.657     60
        147.31   1.645    159
        145.00   1.620     44
        143.19   1.599    145
        141.44   1.580    231
        140.31   1.567    210
        137.56   1.536     52
        135.38   1.512    140
        133.25   1.488    474
        128.50   1.435    156
        127.50   1.424    313
        127.13   1.420    355
        125.63   1.403     48
        121.63   1.359   1000
        119.63   1.336     79
        117.94   1.317     31
        117.50   1.312     32
        115.06   1.285    899
         95.31   1.065    208
         94.50   1.056    402
         93.75   1.047    281
         87.63   0.979    725
         87.00   0.972    432
         80.88   0.904    124
         80.06   0.894    226
         78.81   0.880    146
    

in CDCl3



liquid film



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