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3570-55-6

双巯乙基硫醚(3570-55-6)质谱(MS)

产品名称:双巯乙基硫醚

CAS:3570-55-6

分子式:C4H10S3

分子量: 154.32

InChI:InChI=1S/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2

InChIKey: KSJBMDCFYZKAFH-UHFFFAOYSA-N

Smiles:S(CCS)CCS

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    Mass

    MS-IW-6260          
    2,2'-thiodiethanethiol
    C4H10S3             (Mass of molecular ion:    154)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       1.2
          27.0       8.9
          28.0       2.7
          32.0       1.4
          33.0       1.5
          34.0       4.0
          35.0       8.0
          44.0       1.3
          45.0      14.2
          46.0       4.4
          47.0      10.2
          57.0       1.6
          58.0       6.1
          59.0      19.5
          60.0      31.7
          61.0     100.0
          62.0       5.3
          63.0       6.0
          64.0       2.6
          65.0       1.6
          73.0       1.1
          78.0       1.3
          79.0       1.5
          87.0       1.7
          91.0       1.0
          92.0       2.3
          93.0       2.4
          94.0      55.1
          95.0       3.7
          96.0       5.0
          97.0       1.1
         105.0       2.0
         106.0       1.6
         107.0      11.2
         109.0       1.0
         120.0      21.6
         121.0       1.9
         122.0       2.0
         152.0       2.0
         154.0      24.1
         155.0       1.8
         156.0       3.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C4 H10 S3 0.05 ml : 0.5 ml CDCl3
    2,2'-thiodiethanethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.78 B 2.73 C 1.711 CONFIRMED BY C-H COSY

         Hz     ppm     Int.
    

       1122.31   2.809    229
       1121.83   2.808    274
       1119.38   2.801    374
       1117.31   2.796    251
       1115.60   2.792    353
       1113.65   2.787    818
       1110.96   2.780    851
       1107.54   2.772    846
       1106.93   2.770    914
       1106.32   2.769    966
       1105.59   2.767    838
       1101.32   2.756    803
       1100.22   2.753    697
       1096.80   2.745    564
       1095.09   2.741    498
       1094.12   2.738    962
       1092.77   2.735    673
       1090.33   2.729    269
       1088.62   2.724    677
       1086.55   2.719    480
       1086.06   2.718    557
       1085.21   2.716    308
       1084.11   2.713    346
       1080.32   2.704    297
       1078.00   2.698    252
        715.21   1.790    556
        712.89   1.784     52
        707.40   1.771   1000
        700.68   1.754    243
        699.95   1.752    298
        699.34   1.750    433
        696.53   1.743     41
    

in CDCl3

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liquid film

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