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505-29-3

1,4-二噻烷(505-29-3)Raman光谱

产品名称:1,4-二噻烷

CAS:505-29-3

分子式:C4H8S2

分子量: 120.24

InChI:InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2

InChIKey: LOZWAPSEEHRYPG-UHFFFAOYSA-N

Smiles:S1CCSCC1

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    Mass

    MS-NW-6498          
    1,4-dithiane
    C4H8S2              (Mass of molecular ion:    120)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          26.0       2.9
          27.0      10.4
          28.0       1.7
          35.0       2.2
          41.0       1.8
          44.0       1.6
          45.0      30.7
          46.0      68.7
          47.0       9.6
          48.0       3.4
          57.0       2.7
          58.0       9.8
          59.0      13.3
          60.0      29.3
          61.0      70.6
          62.0       3.1
          63.0       3.0
          64.0      15.2
          66.0       1.7
          73.0      12.0
          74.0       8.1
          75.0       1.1
          76.0       1.2
          87.0       2.7
          91.0       3.4
          92.0      21.7
          93.0       1.2
          94.0       2.0
         104.0       1.0
         105.0       5.8
         120.0     100.0
         121.0       6.1
         122.0       9.4
    

parameter in CDCl3

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    1H NMR 300 MHz
    C4 H8 S2 0.044 g : 0.5 ml CDCl3
    1,4-dithiane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 2.85

         Hz     ppm     Int.
    

        855.00   2.850   1000
    

in CDCl3

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KBr disc

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nujol mull

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