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1,4-Thioxane-1,1-dioxide

Product Name 1,4-Thioxane-1,1-dioxide

CAS107-61-9

MFC4H8O3S

MW136.17

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  • Mass 

    MS-IW-4057          
1,4-oxathiane 4,4-dioxide
C4H8O3S             (Mass of molecular ion:    136)


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


          14.0       1.7
      15.0      10.8
      16.0       1.0
      17.0       1.0
      18.0       5.5
      19.0       1.9
      26.0       4.7
      27.0      21.0
      28.0      48.0
      29.0      37.3
      30.0       2.0
      31.0       4.9
      32.0       2.3
      39.0       1.4
      40.0       2.5
      41.0      17.0
      42.0      15.2
      43.0      77.4
      44.0     100.0
      45.0      47.4
      46.0       2.7
      47.0       2.1
      48.0       7.9
      49.0       1.2
      50.0       1.7
      57.0       3.4
      58.0       4.3
      59.0       1.4
      62.0       1.8
      63.0       2.9
      64.0       1.9
      65.0      12.9
      66.0       1.3
      71.0      31.4
      72.0      22.2
      73.0       1.2
      76.0       1.0
      78.0      12.9
      79.0       1.7
      93.0       2.3
     106.0       5.3
     107.0       5.3
     108.0       5.5
     109.0      14.6
     137.0       4.4

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C4 H8 O3 S 0.036 g : 0.5 ml CDCl3
    1,4-oxathiane 4,4-dioxide
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             4.143
      B             3.128
  

         Hz     ppm     Int.


       1661.38   4.158    896
   1656.62   4.146    738
   1655.64   4.143    717
   1654.91   4.141    719
   1650.76   4.131    930
   1640.87   4.106     24
   1640.14   4.104     23
   1255.49   3.142    891
   1254.27   3.139    655
   1250.12   3.129   1000
   1246.09   3.118    640
   1244.87   3.115    844
   1234.62   3.090     22

in CDCl3



KBr disc



nujol mull



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