Product Name 5-Bromobenzo[b]thiophene 1,1-dioxide
CAS
MFC8H5BrO2S
MW245.0931
InChIInChI=1S/C8H5BrO2S/c9-7-1-2-8-6(5-7)3-4-12(8,10)11/h1-5H
InChIKeySHMDLUBMDUJLOG-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, 764
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