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2-oxo-2H-1-benzopyran-3-carboxylic acid

View entire compound with spectra: 6 NMR, 4 FTIR, 1 Raman, 1 UV-Vis, and 2 MS (GC)

2-oxo-2H-1-benzopyran-3-carboxylic acid
SpectraBase Compound ID En2GjWimfez
InChI InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
InChIKey ACMLKANOGIVEPB-UHFFFAOYSA-N
Mol Weight 190.15 g/mol
Molecular Formula C10H6O4
Exact Mass 190.026609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kby3slsSrU8
Name Coumarin-3-carboxylic acid
CAS Registry Number 531-81-7
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C10H6O4
InChI InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
InChIKey ACMLKANOGIVEPB-UHFFFAOYSA-N
Instrument Name Jeol PFT-100
Literature Reference C. Chang, H.G. Floss, W. Steck, J. Org. Chem. 42, 1337 (1977).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6