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544-40-1

二丁基硫醚(544-40-1)核磁图(1HNMR)

产品名称: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

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    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

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

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liquid film

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