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Thietane-1,1-dioxide(5687-92-3) 1H NMR
Product NameThietane-1,1-dioxide
CAS5687-92-3
Molecular FormulaC3H6O2S
Molecular Weight106.14
InChIInChI=1S/C3H6O2S/c4-6(5)2-1-3-6/h1-3H2
InChIKey FCFMKFHUNDYKEG-UHFFFAOYSA-N
SmilesS1(=O)(=O)CCC1
-
Parameter ppm Hz
D(A) 4.093 D(B) 2.136 J(A,A') -14.00 J(A,A'') 2.24 J(A,A''') -1.24 J(A,B) 10.34 J(A,B') 6.33 J(A',A'') -1.24 J(A',A''') 2.24 J(A',B) 6.33 J(A',B') 10.34 J(A'',A''') -14.00 J(A'',B) 10.34 J(A'',B') 6.33 J(A''',B) 6.33 J(A''',B') 10.34 J(B,B') -12.63 CISTARO,C. ET AL. J.MAGN.RESON. 15, 367 (1974)Spectral Code: 1H NMR : parameter in acetone-d6
