Product NamePROPANESULPHONE
CAS13153-11-2
Molecular FormulaC3H6OS
Molecular Weight90.14
InChIInChI=1S/C3H6OS/c4-5-2-1-3-5/h1-3H2
InChIKey GINSRDSEEGBTJO-UHFFFAOYSA-N
SmilesS1(=O)CCC1
Parameter ppm Hz
D(A) 3.462 D(B) 3.090 D(C) 2.274 D(D) 1.950 J(A,A') 6.10 J(A,B) -10.29 J(A,B') -0.95 J(A,C) 1.83 J(A,D) 7.49 J(A',B) -0.95 J(A',B') -10.29 J(A',C) 1.83 J(A',D) 7.49 J(B,B') -0.57 J(B,C) 10.63 J(B,D) 12.53 J(B',C) 10.63 J(B',D) 12.53 J(C,D) -12.69 CISTARO,C. ET AL. J.MAGN.RESON. 15, 367 (1974)
PROPANESULPHONE(13153-11-2) 1H NMR Atlas of Related Products
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