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5-CHLOROBENZOTHIOPHENE(20532-33-6) 1H NMR
Product Name5-CHLOROBENZOTHIOPHENE
CAS20532-33-6
Molecular FormulaC8H5ClS
Molecular Weight168.64
InChIInChI=1S/C8H5ClS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H
InChIKey SNYURIHMNFPQFL-UHFFFAOYSA-N
SmilesC12=CC=C(Cl)C=C1C=CS2
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Parameter ppm Hz
D(A) 7.44 D(B) 7.22 D(C) 7.75 D(D) 7.27 D(E) 7.73 J(A,B) 5.60 J(A,C) 0.0 J(A,D) 0.5 J(A,E) 0.0 J(B,C) 0.0 J(B,D) 0.0 J(B,E) 0.75 J(C,D) 2.0 J(C,E) 0.5 J(D,E) 8.6 CADDY,B. ET AL. AUST.J.CHEM. 21, 1853 (1968)Spectral Code: 1H NMR : parameter in CDCl3
