ChemicalBook
English   Japanese   Germany   Korea

626-26-6

仲丁基硫醚(626-26-6)质谱(MS)

产品名称:仲丁基硫醚

CAS:626-26-6

分子式:C8H18S

分子量: 146.29

InChI:InChI=1S/C8H18S/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3

InChIKey: IEBAOPMEYUWQPD-UHFFFAOYSA-N

Smiles:CC(SC(C)CC)CC

  • 图谱
    Mass

    MS-NW-5841          
    di-sec-butyl sulfide
    C8H18S              (Mass of molecular ion:    146)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0      10.7
          28.0       1.5
          29.0      29.9
          35.0       1.4
          39.0       7.3
          41.0      33.6
          42.0       1.6
          45.0       3.4
          47.0       4.4
          53.0       1.8
          55.0      12.0
          56.0      23.6
          57.0      62.2
          58.0       3.0
          59.0       5.2
          60.0       8.4
          61.0     100.0
          62.0       3.5
          63.0       4.6
          75.0      12.9
          88.0       1.0
          89.0       4.7
          90.0       4.1
          91.0       4.9
         117.0      55.4
         118.0       4.8
         119.0       2.9
         131.0       3.6
         146.0      32.8
         147.0       3.1
         148.0       1.9
    

400 MHz in CDCl3

90 MHz in CDCl3

  • 图谱

    1H NMR 399.65 MHz
    C8 H18 S 0.05 ml : 0.5 ml CDCl3
    di-sec-butyl sulfide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.737 A 2.732 B *1 1.59 C *1 1.50 D 1.253 D 1.250 E 0.981 E 0.976 mixture of diastereomers

         Hz     ppm     Int.
    

       1103.88   2.763     85
       1102.17   2.758     87
       1097.05   2.746    145
       1095.46   2.742    154
       1091.06   2.731    141
       1090.33   2.729    126
       1089.11   2.726    160
       1084.23   2.713     91
       1082.40   2.709     95
        649.66   1.626     74
        648.19   1.622     67
        646.61   1.618     86
        645.39   1.615     62
        641.85   1.607    116
        640.38   1.603     64
        639.04   1.599    137
        635.86   1.592    102
        634.40   1.588    113
        632.81   1.584    108
        631.59   1.581    118
        628.42   1.573     98
        625.37   1.565    101
        614.99   1.539    102
        609.13   1.525    117
        608.03   1.522    149
        602.17   1.507    162
        601.81   1.506    159
        600.71   1.504    138
        594.85   1.489    148
        593.75   1.486     98
        588.38   1.473     91
        588.01   1.472     92
        586.91   1.469     71
        581.05   1.454     65
        504.27   1.262   1000
        502.81   1.259    919
        500.37   1.253     88
        497.44   1.245    949
        496.09   1.242    919
        399.29   1.000    513
        397.34   0.995    489
        391.85   0.981    864
        390.01   0.976    832
        384.40   0.962    440
        382.57   0.958    440
    

  • 图谱

    1H NMR 89.56 MHz
    C8 H18 S 0.04 ml : 0.5 ml CDCl3
    di-sec-butyl sulfide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.727 B 1.55 C 1.253 D 0.98 J(A,C)=6.8HZ.

         Hz     ppm     Int.
    

        255.00   2.848     58
        248.38   2.774    110
        241.88   2.701    117
        235.56   2.631     74
        155.56   1.737     38
        149.00   1.664     46
        147.38   1.646    107
        144.94   1.619     94
        144.06   1.609     71
        143.44   1.602     41
        141.50   1.580    109
        139.63   1.560    144
        138.00   1.541    142
        137.13   1.532    119
        135.94   1.518     46
        133.50   1.491     96
        132.50   1.480    103
        131.63   1.470     96
        131.19   1.465    105
        130.31   1.456     82
        126.63   1.414     57
        125.00   1.396     47
        124.13   1.386     46
        117.44   1.312     32
        115.56   1.291   1000
        110.81   1.238     32
        108.75   1.215    944
         94.13   1.052    341
         87.19   0.974    553
         79.81   0.892    178
         78.69   0.879     94
    

in CDCl3

  • 图谱

liquid film

  • 图谱

  • 图谱

×