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5-CHLORO-1-BENZOTHIOPHENE-3-CARBONITRILE(16296-79-0) 1H NMR
Product Name5-CHLORO-1-BENZOTHIOPHENE-3-CARBONITRILE
CAS16296-79-0
Molecular FormulaC9H4ClNS
Molecular Weight193.65
InChIInChI=1S/C9H4ClNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H
InChIKey SXWOPXJSURXXCM-UHFFFAOYSA-N
SmilesC12=CC=C(Cl)C=C1C(C#N)=CS2
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Parameter ppm Hz
D(A) 8.14 D(B) 7.92 D(C) 7.42 D(D) 7.80 J(A,B) 0.0 J(A,C) 0.5 J(A,D) 0.0 J(B,C) 2.2 J(B,D) 0.6 J(C,D) 8.7 CHAPMAN,N.B. ET AL. J.CHEM.SOC. C 1968, 764Spectral Code: 1H NMR : parameter in CDCl3