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网站主页CAS数据库列表 14193-38-5更多图谱反式-4,5-二羟基-1,2-二噻烷(14193-38-5)红外图谱(IR2)

反式-4,5-二羟基-1,2-二噻烷

产品名称 反式-4,5-二羟基-1,2-二噻烷

CAS号14193-38-5

分子式C4H8O2S2

分子量152.24


  • Mass

    MS-IW-0789          
    trans-1,2-dithiane-4,5-diol
    C4H8O2S2            (Mass of molecular ion:    152)
    

       Source Temperature: 130 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          15.0       1.8
          18.0       2.5
          19.0       1.2
          27.0       3.3
          28.0       1.8
          29.0       3.4
          31.0       3.3
          39.0       1.2
          41.0       2.3
          42.0       3.0
          43.0      19.9
          44.0      44.2
          45.0      18.9
          46.0      10.3
          47.0      13.3
          48.0       3.6
          55.0       7.0
          57.0       2.1
          58.0       1.8
          59.0       8.8
          60.0       7.7
          61.0       2.0
          63.0       1.3
          64.0      13.4
          66.0       2.0
          69.0       3.5
          70.0      25.6
          71.0       1.7
          73.0       2.6
          74.0       4.5
          75.0       2.0
          76.0       5.0
          77.0       8.4
          78.0       3.2
          79.0      16.5
          80.0       7.4
          81.0       1.7
          87.0      31.4
          88.0       2.2
          89.0       1.5
          91.0       2.0
          92.0       1.2
         101.0       8.1
         105.0       1.9
         108.0      66.7
         109.0       4.0
         110.0       6.2
         134.0      14.3
         135.0       1.8
         136.0       1.4
         152.0     100.0
         153.0       6.4
         154.0       9.4
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C4 H8 O2 S2 0.035 g : 0.5 ml DMSO-d6
    trans-1,2-dithiane-4,5-diol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.23 B 3.344 C *1 3.041 D *1 2.739 ASSIGNED BY C-H COSY

         Hz     ppm     Int.
    

       2097.78   5.250     39
       2091.19   5.233   1000
       2086.67   5.222    993
       2079.96   5.205     44
       1351.07   3.381     52
       1342.90   3.361    236
       1339.11   3.351    317
       1334.11   3.339    320
       1330.32   3.329    255
       1322.02   3.308     52
       1221.19   3.056    255
       1220.70   3.055    255
       1208.74   3.025    314
       1110.11   2.778     48
       1104.98   2.765    275
       1100.22   2.753    139
       1095.34   2.741    295
       1091.55   2.732    259
       1086.79   2.720    120
       1081.91   2.708    219
       1076.78   2.695     42
    

in DMSO-d6



KBr disc



nujol mull