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Thianaphthene-2-carboxylic acid

View entire compound with spectra: 3 NMR, 3 FTIR, and 1 Raman

Thianaphthene-2-carboxylic acid
SpectraBase Compound ID Iws0TtxyyYI
InChI InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
InChIKey DYSJMQABFPKAQM-UHFFFAOYSA-N
Mol Weight 178.2 g/mol
Molecular Formula C9H6O2S
Exact Mass 178.008851 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ku9lbcGB3No
Name Thianaphthene-2-carboxylic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 467464
CAS Registry Number 6314-28-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6O2S
InChI InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
InChIKey DYSJMQABFPKAQM-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Benzo[b]thiophene-2-carboxylic acid
Wiley ID SIAL_13CNMR_010229