Product Name5-Bromobenzo[b]thiophene 1,1-dioxide
Molecular FormulaC8H5BrO2S
Molecular Weight245.0931
InChIInChI=1S/C8H5BrO2S/c9-7-1-2-8-6(5-7)3-4-12(8,10)11/h1-5H
InChIKey SHMDLUBMDUJLOG-UHFFFAOYSA-N
SmilesC12=CC=C(Br)C=C1C=CS2(=O)=O
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Parameter ppm Hz
D(A) 7.53 D(B) 7.62 D(C) 7.46 D(D) 7.17 D(E) 6.75 J(A,B) 8.40 J(A,C) 0.6 J(A,D) 0.7 J(A,E) 0.0 J(B,C) 2.0 J(B,D) 0.0 J(B,E) 0.0 J(C,D) 0.0 J(C,E) 0.0 J(D,E) 6.7 CHAPMAN,N.B. ET AL. J.CHEM.SOC. C 1968, 764Spectral Code: 1H NMR : parameter in CDCl3