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3-BROMO-5-NITRO-BENZO[B]THIOPHENE(19492-95-6) 1H NMR
Product Name3-BROMO-5-NITRO-BENZO[B]THIOPHENE
CAS19492-95-6
Molecular FormulaC8H4BrNO2S
Molecular Weight258.09
InChIInChI=1S/C8H4BrNO2S/c9-7-4-13-8-2-1-5(10(11)12)3-6(7)8/h1-4H
InChIKey GGRNMFMKEKDBNE-UHFFFAOYSA-N
SmilesC12=CC=C([N+]([O-])=O)C=C1C(Br)=CS2
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Parameter ppm Hz
D(A) 7.62 D(B) 8.71 D(C) 8.25 D(D) 7.95 J(A,B) 0.0 J(A,C) 0.6 J(A,D) 0.0 J(B,C) 2.0 J(B,D) 0.6 J(C,D) 8.5 CHAPMAN,N.B. ET AL. J.CHEM.SOC. C 1968, 764Spectral Code: 1H NMR : parameter in CDCl3