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Benzo[b]thiophene-5-carboxylic acid, 2-bromo-, 1,1-dioxide
SpectraBase Compound ID 8ggOvpS3J27
InChI InChI=1S/C9H5BrO4S/c10-8-4-6-3-5(9(11)12)1-2-7(6)15(8,13)14/h1-4H,(H,11,12)
InChIKey BLADNJCGXXOUNE-UHFFFAOYSA-N
Mol Weight 289.1 g/mol
Molecular Formula C9H5BrO4S
Exact Mass 287.909193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbnGmaL4wVo
Name Benzo[b]thiophene-5-carboxylic acid, 2-bromo-, 1,1-dioxide
Alternate Name(s) 2-Bromobenzo[b]thiophene-5-carboxylic acid 1,1-dioxide 2-Bromo-1-benzothiophene-5-carboxylic acid 1,1-dioxide 2-Bromo-1,1-dioxo-1-benzothiophene-5-carboxylic acid 2-Bromo-1,1-dioxo-benzothiophene-5-carboxylic acid 2-Bromanyl-1,1-bis(oxidanylidene)-1-benzothiophene-5-carboxylic acid
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Formula C9H5BrO4S
InChI InChI=1S/C9H5BrO4S/c10-8-4-6-3-5(9(11)12)1-2-7(6)15(8,13)14/h1-4H,(H,11,12)
InChIKey BLADNJCGXXOUNE-UHFFFAOYSA-N
Molecular Weight 289.099 g/mol
SMILES OC(=O)c1ccc2c(C=C(Br)S2(=O)=O)c1
SPLASH splash10-001i-6920000000-7eeff5f3c73e6f3aee08
Source of Spectrum JX-2015-2-1224
Wiley ID 1722883