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benzo[b]thiophene-5-carboxylic acid
SpectraBase Compound ID C3wQvwI1Nwn
InChI InChI=1S/C9H6O2S/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H,(H,10,11)
InChIKey SNBYTKLWZRHESA-UHFFFAOYSA-N
Mol Weight 178.2 g/mol
Molecular Formula C9H6O2S
Exact Mass 178.008851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xfIbh2xj79
Name benzo[b]thiophene-5-carboxylic acid
Alternate Name(s) 1-Benzothiophene-5-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6O2S
InChI InChI=1S/C9H6O2S/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H,(H,10,11)
InChIKey SNBYTKLWZRHESA-UHFFFAOYSA-N
Molecular Weight 178.205 g/mol
SMILES OC(=O)c1ccc2sccc2c1
SPLASH splash10-01t9-4900000000-4fbc834752a6e3adaa63
Source of Spectrum JX-2012-732
Wiley ID 1661178