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1-BENZOTHIOPHENE-5-CARBALDEHYDE(10133-30-9) 1H NMR
Product Name1-BENZOTHIOPHENE-5-CARBALDEHYDE
CAS10133-30-9
Molecular FormulaC9H6OS
Molecular Weight162.21
InChIInChI=1S/C9H6OS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-6H
InChIKey QHHRWAPVYHRAJA-UHFFFAOYSA-N
SmilesC12=CC=C(C=O)C=C1C=CS2
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Parameter ppm Hz
D(A) 7.55 D(B) 7.46 D(C) 8.28 D(D) 7.85 D(E) 7.98 D(F) 10.07 J(A,B) 5.4 J(A,C) 0.0 J(A,D) 0.35 J(A,E) 0.0 J(A,F) 0.5 J(B,C) 0.0 J(B,D) 0.0 J(B,E) 0.65 J(B,F) 0.0 J(C,D) 1.5 J(C,E) 0.75 J(C,F) 0.0 J(D,E) 8.5 J(D,F) 0.0 J(E,F) 0.45 CADDY,B. ET AL. AUST.J.CHEM. 21, 1853 (1968)Spectral Code: 1H NMR : parameter in CDCl3