Product Name3-Bromo-5-nitrobenzo[b]thiophene 1,1-dioxide
Molecular FormulaC8H4BrNO4S
Molecular Weight290.09066
InChIInChI=1S/C8H4BrNO4S/c9-7-4-15(13,14)8-2-1-5(10(11)12)3-6(7)8/h1-4H
InChIKey NXIYKQYFIWBBJW-UHFFFAOYSA-N
SmilesC12=CC=C([N+]([O-])=O)C=C1C(Br)=CS2(=O)=O
-
Parameter ppm Hz
D(A) 7.92 D(B) 8.50 D(C) 8.39 D(D) 7.16 J(A,B) 8.3 J(A,C) 0.7 J(A,D) 0.0 J(B,C) 2.0 J(B,D) 0.0 J(C,D) 0.0 CHAPMAN,N.B. ET AL. J.CHEM.SOC. C 1968, 764Spectral Code: 1H NMR : parameter in CDCl3