Product Name4-Bromobenzo[b]thiophen-5-amine
Molecular FormulaC8H6BrNS
Molecular Weight228.10894
InChIInChI=1S/C8H6BrNS/c9-8-5-3-4-11-7(5)2-1-6(8)10/h1-4H,10H2
InChIKey OBOPRMBGTONVDY-UHFFFAOYSA-N
SmilesC12=CC=C(N)C(Br)=C1C=CS2
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Parameter ppm Hz
D(A) 7.53 D(B) 6.80 D(C) 7.35 D(D) 7.45 J(A,B) 8.9 J(A,C) 0.7 J(A,D) 0.0 J(B,C) 0.0 J(B,D) 0.4 J(C,D) 5.7 D(E) 4.05 CADDY,B. ET AL. AUST.J.CHEM. 21, 1853 (1968)Spectral Code: 1H NMR : parameter in CDCl3