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4H-Thiopyran-4-thione(1120-94-1) 1H NMR
Product Name4H-Thiopyran-4-thione
CAS1120-94-1
Molecular FormulaC5H4S2
Molecular Weight128.22
InChIInChI=1S/C5H4S2/c6-5-1-3-7-4-2-5/h1-4H
InChIKey PHTICVKXTBXWRX-UHFFFAOYSA-N
SmilesC1SC=CC(=S)C=1
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Parameter ppm Hz
D(A) 7.904 D(B) 7.586 J(A,A') 3.62 J(A,B) 10.11 J(A,B') 0.46 J(A',B) 0.46 J(A',B') 10.11 J(B,B') 1.48 BROWN,N.M.D. & BLADON,P. SPECTROCHIM.ACTA 21, 1277 (1965)Spectral Code: 1H NMR : parameter in CDCl3