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5-nitrobenzo[b]thiophenen-2-carboxylic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

5-nitrobenzo[b]thiophenen-2-carboxylic acid
SpectraBase Compound ID 6ddjpGSoiK7
InChI InChI=1S/C9H5NO4S/c11-9(12)8-4-5-3-6(10(13)14)1-2-7(5)15-8/h1-4H,(H,11,12)
InChIKey ZGSMHACHDULBBY-UHFFFAOYSA-N
Mol Weight 223.2 g/mol
Molecular Formula C9H5NO4S
Exact Mass 222.993929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSdRFrR4a82
Name Benzo[b]thiophene-2-carboxylic acid, 5-nitro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5NO4S
InChI InChI=1S/C9H5NO4S/c11-9(12)8-4-5-3-6(10(13)14)1-2-7(5)15-8/h1-4H,(H,11,12)
InChIKey ZGSMHACHDULBBY-UHFFFAOYSA-N
Molecular Weight 223.202 g/mol
SMILES OC(=O)c1cc2cc(ccc2s1)[N+]([O-])=O
SPLASH splash10-00di-5790000000-86e48f27a7932ce151cd
Source of Spectrum JX-2015-0-563
Synonyms 5-Nitrobenzo[b]thiophene-2-carboxylic acid 5-Nitro-1-benzothiophene-2-carboxylic acid
Wiley ID 1720489