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Thiochroman-3-carboxylic acid

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

Thiochroman-3-carboxylic acid
SpectraBase Compound ID yPvtzTmbNL
InChI InChI=1S/C10H10O2S/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-4,8H,5-6H2,(H,11,12)
InChIKey UTKHLTRHMHQVGS-UHFFFAOYSA-N
Mol Weight 194.25 g/mol
Molecular Formula C10H10O2S
Exact Mass 194.040151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27KKjQ91Y8
Name Thiochroman-3-carboxylic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O2S
InChI InChI=1S/C10H10O2S/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-4,8H,5-6H2,(H,11,12)
InChIKey UTKHLTRHMHQVGS-UHFFFAOYSA-N
Molecular Weight 194.248 g/mol
SMILES OC(C1CSc2c(C1)cccc2)=O
SPLASH splash10-0002-0900000000-8a8bb620d928226aa7e8
Source of Spectrum SO-1976-411-7
Synonyms 3,4-Dihydro-2H-1-benzothiopyran-3-carboxylic acid 3,4-Dihydro-2H-thiochromene-3-carboxylic acid thiochromane-3-carboxylic acid
Wiley ID 1536904