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1-BENZOTHIOPHENE-5-CARBONITRILE(2060-63-1) 1H NMR
Product Name1-BENZOTHIOPHENE-5-CARBONITRILE
CAS2060-63-1
Molecular FormulaC9H5NS
Molecular Weight159.21
InChIInChI=1S/C9H5NS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H
InChIKey IPJUOWGTGHKFKN-UHFFFAOYSA-N
SmilesC12=CC=C(C#N)C=C1C=CS2
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Parameter ppm Hz
D(A) 7.59 D(B) 7.38 D(C) 8.10 D(D) 7.52 D(E) 7.93 J(A,B) 5.6 J(A,C) 0.0 J(A,D) 0.50 J(A,E) 0.0 J(B,C) 0.0 J(B,D) 0.0 J(B,E) 0.7 J(C,D) 1.6 J(C,E) 0.6 J(D,E) 8.2 CADDY,B. ET AL. AUST.J.CHEM. 21, 1853 (1968)Spectral Code: 1H NMR : parameter in CDCl3