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27565-41-9

二硫代苏糖醇(27565-41-9)核磁图(13CNMR)

产品名称:二硫代苏糖醇

CAS:27565-41-9

分子式:C4H10O2S2

分子量: 154.25

InChI:InChI=1/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/s3

InChIKey: VHJLVAABSRFDPM-APQYWOSTNA-N

Smiles:[C@@H](O)(CS)[C@H](O)CS |&1:0,4,r|

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    Mass

    MS-IW-5621          
    dithiothreitol
    C4H10O2S2           (Mass of molecular ion:    154)
    

       Source Temperature: 120 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          15.0       3.9
          18.0       4.0
          19.0       2.0
          27.0       5.8
          28.0       1.5
          29.0       4.4
          31.0       3.8
          34.0       1.8
          35.0       5.1
          39.0       2.1
          41.0       3.1
          42.0       4.1
          43.0      23.6
          44.0      66.2
          45.0      26.7
          46.0       6.3
          47.0      45.6
          48.0      11.4
          49.0       5.8
          54.0       3.2
          55.0       4.6
          57.0       8.7
          58.0       5.4
          59.0      95.5
          60.0      13.2
          61.0      35.4
          62.0       1.8
          63.0       4.4
          64.0       1.4
          69.0       1.0
          71.0       1.5
          72.0       1.2
          73.0      10.5
          74.0       2.3
          75.0       1.9
          76.0      20.3
          77.0     100.0
          78.0       6.1
          79.0       5.9
          84.0       1.0
          85.0      12.8
          86.0       8.7
          87.0       2.4
          88.0      19.5
          89.0      87.2
          90.0       5.0
          91.0       5.0
          92.0       4.8
          93.0       2.8
         101.0       1.4
         102.0      83.3
         103.0      54.5
         104.0       6.7
         105.0       2.8
         106.0       1.6
         107.0       5.2
         118.0       5.8
         119.0       4.2
         120.0      10.3
         121.0       1.0
         136.0       9.0
         154.0      12.0
         155.0       1.4
         156.0       1.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C4 H10 O2 S2 0.020 g : 0.5 ml CDCl3
    dithiothreitol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.69 B 3.32 C 2.73 D 1.604

         Hz     ppm     Int.
    

        336.81   3.761    109
        333.56   3.725     96
        331.94   3.707    180
        331.25   3.699    172
        330.19   3.687    102
        326.94   3.651    154
        325.81   3.638    100
        323.56   3.613     84
        297.69   3.324   1000
        251.56   2.809    237
        246.56   2.754    186
        244.81   2.734    194
        243.25   2.717    361
        237.69   2.654    225
        236.69   2.643    186
        151.63   1.694    294
        143.44   1.602    360
        142.75   1.594    279
        134.56   1.503    217
    

in CDCl3

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KBr disc

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nujol mull

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