Product Name4,6-Dibromo-5-methoxybenzo[b]thiophene
Molecular FormulaC9H6Br2OS
Molecular Weight322.01634
InChIInChI=1S/C9H6Br2OS/c1-12-9-6(10)4-7-5(8(9)11)2-3-13-7/h2-4H,1H3
InChIKey GJPMPCDRCNFAMT-UHFFFAOYSA-N
SmilesC12=CC(Br)=C(OC)C(Br)=C1C=CS2
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Parameter ppm Hz
D(A) 8.00 D(B) 7.42 D(C) 7.50 J(A,B) 0.60 J(A,C) 0.0 J(B,C) 5.6 D(D) 3.94 CADDY,B. ET AL. AUST.J.CHEM. 21, 1853 (1968)Spectral Code: 1H NMR : parameter in CDCl3