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3,6-Dithia-1,8-octanediol

Product Name 3,6-Dithia-1,8-octanediol

CAS5244-34-8

MFC6H14O2S2

MW182.3

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  • Mass 

    MS-NW-9918          
3,6-dithia-1,8-octanediol
C6H14O2S2           (Mass of molecular ion:    182)


       Source Temperature: 170 °C
   Sample Temperature: 100 °C
   Direct, 75 eV


          15.0       1.1
      17.0       1.0
      18.0       5.2
      19.0       2.3
      27.0       7.3
      28.0       2.5
      29.0       2.2
      31.0       6.8
      35.0       2.8
      41.0       1.7
      43.0       3.7
      44.0       2.0
      45.0      37.1
      46.0       7.3
      47.0      11.2
      48.0       3.0
      49.0       1.0
      53.0       1.9
      58.0       2.5
      59.0      11.5
      60.0      26.5
      61.0     100.0
      62.0       4.6
      63.0       4.9
      64.0       1.5
      71.0       3.0
      73.0       6.5
      74.0       2.2
      75.0      13.3
      76.0       4.0
      77.0       3.4
      78.0       1.6
      79.0       5.7
      85.0       2.8
      86.0       2.4
      87.0      13.3
      88.0       1.0
      89.0       1.3
      91.0      30.6
      92.0       4.4
      93.0       2.2
      94.0      10.3
     103.0       2.1
     104.0      43.5
     105.0      82.5
     106.0       6.5
     107.0       5.7
     108.0       1.5
     109.0       3.2
     118.0       1.0
     119.0       2.0
     120.0      11.4
     121.0       1.3
     122.0       1.1
     137.0       2.1
     138.0      27.8
     139.0       3.5
     140.0       2.6
     164.0      31.4
     165.0       2.8
     166.0       3.0
     182.0       8.7
     184.0       1.0

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C6 H14 O2 S2 0.036 g : 0.5 ml CDCl3
    3,6-dithia-1,8-octanediol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.758
      B             2.84
      C             2.789
      D             2.765
  

         Hz     ppm     Int.


       1508.30   3.775    283
   1502.20   3.759    533
   1496.22   3.744    305
   1134.52   2.839     62
   1114.62   2.789   1000
   1110.84   2.780    319
   1104.86   2.765    502
   1098.75   2.750    279

in CDCl3



KBr disc



nujol mull





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