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返回ChemicalBook首页>CAS数据库列表>5244-34-8更多图谱> 3,6-二硫杂-1,8-辛二醇(5244-34-8)核磁图(13CNMR)

5244-34-8

3,6-二硫杂-1,8-辛二醇(5244-34-8)核磁图(13CNMR)

分子式:C6H14O2S2

分子量: 182.3

InChI:InChI=1S/C6H14O2S2/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

InChIKey: PDHFSBXFZGYBIP-UHFFFAOYSA-N

Smiles:C(SCCO)CSCCO

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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

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    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

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KBr disc

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nujol mull

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