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
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)
1-BENZOTHIOPHENE-5-CARBALDEHYDE(10133-30-9) 1H NMR Atlas of Related Products
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