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5-Hydroxythionaphthene(19301-35-0) 1H NMR
Product Name5-Hydroxythionaphthene
CAS19301-35-0
Molecular FormulaC8H6OS
Molecular Weight150.2
InChIInChI=1S/C8H6OS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,9H
InChIKey CCSUVDYTBGWFIB-UHFFFAOYSA-N
SmilesC12=CC=C(O)C=C1C=CS2
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Parameter ppm Hz
D(A) 7.40 D(B) 7.15 D(C) 7.21 D(D) 6.91 D(E) 7.67 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) 0.80 J(C,D) 2.5 J(C,E) 0.5 J(D,E) 8.7 D(F) 5.28 CADDY,B. ET AL. AUST.J.CHEM. 21, 1853 (1968) J(B,C):NOT EQUAL TO 0.Spectral Code: 1H NMR : parameter in CDCl3