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111-48-8

硫代二甘醇(111-48-8)核磁图(13CNMR)

产品名称:硫代二甘醇

CAS:111-48-8

分子式:C4H10O2S

分子量: 122.19

InChI:InChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2

InChIKey: YODZTKMDCQEPHD-UHFFFAOYSA-N

Smiles:S(CCO)CCO

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    Mass

    MS-NW-1465          
    2,2'-thiodiethanol
    C4H10O2S            (Mass of molecular ion:    122)
    

       Source Temperature: 250 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          14.0       1.2
          15.0       6.0
          18.0       2.3
          19.0       6.1
          26.0       2.1
          27.0      15.8
          28.0       3.1
          29.0       8.4
          31.0      17.3
          35.0       3.2
          41.0       2.3
          42.0       2.1
          43.0      10.9
          44.0      15.0
          45.0      53.6
          46.0      16.4
          47.0      26.8
          48.0       9.9
          49.0       8.9
          58.0       2.5
          59.0      10.5
          60.0      18.8
          61.0     100.0
          62.0       5.8
          63.0       4.8
          73.0       3.5
          74.0       3.5
          75.0       3.4
          76.0       1.6
          91.0      33.1
          92.0       6.7
          93.0       1.7
         104.0      33.7
         105.0       2.7
         106.0       1.7
         122.0       4.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C4 H10 O2 S 0.05 ml : 0.5 ml CDCl3
    2,2'-thiodiethanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.1 B 3.759 C 2.748

         Hz     ppm     Int.
    

       1628.05   4.074     96
       1508.91   3.776    433
       1502.81   3.761    850
       1496.83   3.746    502
       1104.37   2.764    542
       1098.27   2.749   1000
       1092.16   2.733    562
    

in CDCl3

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KBr disc

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liquid film

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