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3-Chlorothietane-1,1-dioxide(15953-83-0) 1H NMR
Product Name3-Chlorothietane-1,1-dioxide
CAS15953-83-0
Molecular FormulaC3H5ClO2S
Molecular Weight140.59
InChIInChI=1S/C3H5ClO2S/c4-3-1-7(5,6)2-3/h3H,1-2H2
InChIKey MHGRPTSHTMXAKQ-UHFFFAOYSA-N
SmilesS1(=O)(=O)CC(Cl)C1
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Parameter ppm Hz
D(A) 4.312 D(B) 4.851 D(C) 4.917 J(A,A') 3.88 J(A,B) -14.56 J(A,B') -1.32 J(A,C) 3.89 J(A',B) -1.32 J(A',B') -14.56 J(A',C) 3.89 J(B,B') 2.48 J(B,C) 8.34 J(B',C) 8.34 CISTARO,C. ET AL. TETRAHEDRON LETT. 1973, 189Spectral Code: 1H NMR : parameter in acetone-d6