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Back ChemicalBook Home>CAS DataBase List>1191-43-1More Spectrum> 1,6-Hexanedithiol(1191-43-1) 1H NMR

1,6-Hexanedithiol(1191-43-1) 1H NMR

Product Name1,6-Hexanedithiol

CAS1191-43-1

Molecular FormulaC6H14S2

Molecular Weight150.31

InChIInChI=1S/C6H14S2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2

InChIKey SRZXCOWFGPICGA-UHFFFAOYSA-N

SmilesC(S)CCCCCS


  • Mass

    MS-NW-3799          
    1,6-hexanedithiol
    C6H14S2             (Mass of molecular ion:    150)
    

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

          18.0       1.1
          26.0       1.3
          27.0      18.1
          28.0       2.2
          29.0      11.3
          33.0       1.2
          34.0       2.2
          35.0       5.6
          39.0      14.5
          40.0       2.2
          41.0      60.8
          42.0       8.1
          43.0       7.3
          44.0       1.5
          45.0      13.7
          46.0       8.6
          47.0      50.8
          48.0       1.9
          49.0       2.4
          51.0       1.0
          53.0       5.5
          54.0      31.3
          55.0      64.8
          56.0       5.7
          57.0       2.4
          58.0       2.1
          59.0       5.6
          60.0      26.9
          61.0      27.6
          62.0       2.4
          63.0       1.4
          67.0      42.3
          68.0       4.9
          69.0      14.9
          70.0       2.7
          73.0       8.6
          74.0       4.9
          75.0       3.9
          79.0       1.2
          81.0       5.5
          82.0      27.0
          83.0      26.3
          84.0       2.0
          85.0       1.0
          86.0       1.1
          87.0     100.0
          88.0      10.0
          89.0       5.8
         101.0      10.4
         103.0       1.1
         115.0       1.9
         116.0      41.8
         117.0       6.3
         118.0       2.4
         150.0       7.2
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C6 H14 S2 0.04 ml : 0.5 ml CDCl3
    1,6-hexanedithiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.517 B 1.62 C 1.46 D 1.346

         Hz     ppm     Int.
    

        237.56   2.653    111
        236.63   2.643    123
        229.94   2.568    479
        223.31   2.494    518
        222.69   2.487    508
        216.06   2.413    234
        215.38   2.405    268
        158.50   1.770     51
        157.38   1.758     48
        152.06   1.698    158
        150.69   1.683    147
        148.31   1.656    135
        146.06   1.631    215
        144.56   1.615    220
        143.19   1.599    213
        140.13   1.565    214
        137.75   1.539    244
        132.63   1.481    331
        130.50   1.458    428
        128.69   1.437    384
        127.38   1.423   1000
        125.69   1.404    300
        119.88   1.339    885
        119.44   1.334    824
        116.44   1.301     86
        114.25   1.276     55
        111.94   1.250    583
    

in CDCl3



liquid film





1,6-Hexanedithiol(1191-43-1) 1H NMR Atlas of Related Products

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