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返回ChemicalBook首页>CAS数据库列表>31805-84-2更多图谱> 1,3-二(甲硫基)-2-甲基丙烷(31805-84-2)质谱(MS)

31805-84-2

1,3-二(甲硫基)-2-甲基丙烷(31805-84-2)质谱(MS)

分子式:C6H14OS2

分子量: 166.3

InChI:InChI=1S/C6H14OS2/c1-7-6(4-8-2)5-9-3/h6H,4-5H2,1-3H3

InChIKey: MOISORXUYSHXRU-UHFFFAOYSA-N

Smiles:C(SC)C(OC)CSC

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    Mass

    MS-IW-7594          
    2-methoxy-1,3-bis(methylthio)propane
    C6H14OS2            (Mass of molecular ion:    166)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.1
          27.0       3.8
          28.0       1.7
          29.0       1.4
          31.0       1.2
          35.0       3.4
          39.0       3.0
          41.0       6.6
          42.0       1.2
          43.0       4.4
          45.0      11.0
          46.0       2.9
          47.0       5.8
          48.0       1.6
          53.0       1.0
          57.0       1.4
          58.0       5.2
          59.0       2.5
          60.0       1.0
          61.0      42.4
          62.0      10.5
          63.0       4.1
          71.0       3.2
          72.0       2.4
          73.0       5.3
          75.0      11.2
          87.0      25.3
          88.0       2.3
          89.0       5.2
          90.0      10.6
          91.0       1.0
         103.0       1.5
         104.0       1.5
         105.0     100.0
         106.0       5.5
         107.0       5.0
         118.0       1.0
         134.0      39.3
         135.0       3.2
         136.0       3.7
         151.0       2.2
         166.0      15.0
         167.0       1.2
         168.0       1.4
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H14 O S2 0.05 ml : 0.5 ml CDCl3
    2-methoxy-1,3-bis(methylthio)propane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.512 B 3.429 C *1 2.766 D *1 2.731 E 2.163

         Hz     ppm     Int.
    

       1409.55   3.527     64
       1403.93   3.513     99
       1398.19   3.499     69
       1392.58   3.485     21
       1370.61   3.430    713
       1119.26   2.801     53
       1113.53   2.787     51
       1105.59   2.767    197
       1099.85   2.753    200
       1097.29   2.746    212
       1091.67   2.732    205
       1083.74   2.712     57
       1078.13   2.698     52
        864.75   2.164   1000
    

in CDCl3

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liquid film

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