DIBENZOTHIOPHENE SULFONE(1016-05-3) ESR
Product NameDIBENZOTHIOPHENE SULFONE
CAS1016-05-3
Molecular FormulaC12H8O2S
Molecular Weight216.26
InChIInChI=1S/C12H8O2S/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H
InChIKey IKJFYINYNJYDTA-UHFFFAOYSA-N
SmilesC12=CC=CC=C1C1=CC=CC=C1S2(=O)=O
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Parameter ppm Hz
D(A) 7.800 D(B) 7.506 D(C) 7.607 D(D) 7.766 J(A,B) 7.73 J(A,C) 1.11 J(A,D) 0.63 J(B,C) 7.53 J(B,D) 1.00 J(C,D) 7.77 BALKAU,F. & HEFFERNAN,M.L. AUST.J.CHEM. 24, 2305 (1971)Spectral Code: 1H NMR : parameter in CDCl3
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Spectral Code: IR : nujol mull
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Spectral Code: ESR : ANION RADICAL, REDUCTION WITH K IN DME, 200K
