3-Chlorothietane(6013-95-2) 1H NMR
Product Name3-Chlorothietane
CAS6013-95-2
Molecular FormulaC3H5ClS
Molecular Weight108.59
InChIInChI=1S/C3H5ClS/c4-3-1-5-2-3/h3H,1-2H2
InChIKey XCXWYBUEHDEIQV-UHFFFAOYSA-N
SmilesS1CC(Cl)C1
-
Parameter ppm Hz
D(A) 5.146 D(B) 3.664 D(C) 3.317 J(A,B) 9.34 J(A,B') 9.34 J(A,C) 7.67 J(A,C') 7.67 J(B,B') -0.48 J(B,C) -8.63 J(B,C') -0.75 J(B',C) -0.75 J(B',C') -8.63 J(C,C') 3.12 KELLER,W.D. ET AL. J.CHEM.PHYS. 44, 782 (1966)Spectral Code: 1H NMR : parameter neat