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Back ChemicalBook Home>CAS DataBase List>77-77-0More Spectrum> Divinyl sulphone(77-77-0) MS

Divinyl sulphone(77-77-0) MS

Product NameDivinyl sulphone

CAS77-77-0

Molecular FormulaC4H6O2S

Molecular Weight118.15

InChIInChI=1S/C4H6O2S/c1-3-7(5,6)4-2/h3-4H,1-2H2

InChIKey AFOSIXZFDONLBT-UHFFFAOYSA-N

SmilesS(C=C)(C=C)(=O)=O


  • Mass

    MS-IW-3858          
    divinyl sulfone
    C4H6O2S             (Mass of molecular ion:    118)
    

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

          15.0       2.0
          26.0      12.5
          27.0      75.6
          28.0       7.2
          29.0       9.0
          39.0       1.6
          41.0       9.1
          42.0       3.3
          43.0      17.2
          44.0       2.9
          45.0       7.4
          46.0       4.0
          47.0      17.6
          48.0       9.6
          49.0       2.9
          50.0       1.7
          53.0       1.1
          57.0       1.8
          58.0       3.8
          59.0      17.4
          60.0      11.5
          61.0       1.8
          63.0       2.3
          64.0       1.3
          65.0       5.7
          66.0      29.5
          68.0       1.5
          69.0      13.7
          70.0       3.0
          73.0       4.6
          75.0     100.0
          76.0      13.6
          77.0       5.7
          89.0       2.1
          91.0       4.0
    

parameter in CDCl3

400 MHz in CDCl3


  • 1H NMR 300 MHz
    C4 H6 O2 S 20 wt% in CDCl3
    divinyl sulfone
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.17 D(B) 6.41 D(C) 6.67 J(A,B) -0.56 J(A,C) 9.95 J(B,C) 16.41 BRUEGEL,W. HANDBOOK OF NMR SPECTRAL PARAMETERS 40.2.12.1

         Hz     ppm     Int.
    

       2015.13   6.717    413
       2005.29   6.684    461
       1998.76   6.663    615
       1988.91   6.630    711
       1930.40   6.435   1000
       1913.87   6.380    657
       1855.80   6.186    877
       1845.97   6.153    770
    


  • 1H NMR 399.65 MHz
    C4 H6 O2 S 0.05 ml : 0.5 ml CDCl3
    divinyl sulfone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.644 B 6.426 C 6.174 J(A,B)=16.6HZ J(A,C)=9.9HZ

         Hz     ppm     Int.
    

       2670.04   6.681    469
       2660.16   6.657    502
       2653.44   6.640    622
       2650.02   6.631     42
       2643.68   6.615    674
       2575.44   6.445   1000
       2570.31   6.432     43
       2558.72   6.403    725
       2472.29   6.187    906
       2462.40   6.162    811
    

in CDCl3



KBr disc



liquid film



nujol mull





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