544-40-1

二丁基硫醚(544-40-1)質譜(MS)

產品名稱:二丁基硫醚

CAS:544-40-1

分子式:C8H18S

分子量: 146.29

InChI:InChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3

InChIKey: HTIRHQRTDBPHNZ-UHFFFAOYSA-N

Smiles:S(CCCC)CCCC

Mass

MS-NW-3535          
dibutyl sulfide
C8H18S              (Mass of molecular ion:    146)

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

      15.0       1.1
      26.0       1.3
      27.0      17.1
      28.0       3.8
      29.0      38.1
      35.0       1.1
      39.0       8.0
      40.0       1.4
      41.0      40.0
      42.0       2.5
      43.0       4.3
      45.0       5.0
      46.0       4.0
      47.0      12.3
      48.0       1.9
      49.0       1.6
      53.0       1.6
      54.0       1.3
      55.0      23.0
      56.0     100.0
      57.0      33.7
      58.0       1.4
      59.0       2.0
      60.0       3.8
      61.0      94.8
      62.0       3.5
      63.0       4.3
      75.0       6.1
      88.0       2.0
      89.0      12.5
      90.0      25.5
      91.0      11.3
      92.0       1.6
     103.0      13.1
     104.0       1.3
     117.0       7.5
     146.0      37.5
     147.0       3.9
     148.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₈ S	0.04 ml : 0.5 ml CDCl₃
dibutyl sulfide

    Assign.     Shift(ppm)

      A             2.50
      B             1.55
      C             1.41
      D             0.92

     Hz     ppm     Int.

    232.19   2.593    181
    231.50   2.585    192
    229.56   2.564     79
    226.94   2.534    165
    224.63   2.509    503
    220.13   2.458     80
    217.69   2.431    349
    154.31   1.723     52
    152.00   1.698     32
    150.38   1.680     49
    148.25   1.656    124
    146.06   1.631    133
    142.13   1.587    162
    141.19   1.577    176
    140.06   1.564    178
    138.88   1.551    270
    135.50   1.513    333
    134.06   1.497    329
    131.50   1.469    376
    128.88   1.440    269
    127.38   1.423    220
    126.44   1.412    113
    124.81   1.394    130
    124.31   1.389    120
    123.25   1.377    118
    122.38   1.367    124
    121.69   1.359    121
    121.06   1.352    122
    120.94   1.351    122
    119.44   1.334     65
    118.00   1.318     73
    115.44   1.289    133
    113.50   1.268     60
    113.06   1.263     59
    108.75   1.215     89
     93.94   1.049     30
     93.38   1.043     32
     91.38   1.021     33
     88.69   0.991    412
     87.94   0.982    358
     85.50   0.955    118
     84.00   0.938    121
     82.06   0.917   1000
     79.63   0.890    281
     76.88   0.859    100
     75.81   0.847    148
     74.63   0.834    182
     72.94   0.815    109

in CDCl3