Divinyl sulphone(77-77-0) Raman
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
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MassMS-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
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1H NMR 300 MHz C4 H6 O2 S 20 wt% in CDCl3 divinyl sulfone 
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
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1H NMR 399.65 MHz C4 H6 O2 S 0.05 ml : 0.5 ml CDCl3 divinyl sulfone 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
