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Kynurenic acid

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Kynurenic acid
SpectraBase Compound ID C9kJsaiaNYT
InChI InChI=1S/2C10H7NO3.2Na/c2*12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9;;/h2*1-5H,(H,11,12)(H,13,14);;/q;;2*+1/p-2
InChIKey QKVJLHRVHNQOTQ-UHFFFAOYSA-L
Mol Weight 422.30353856 g/mol
Molecular Formula C20H12N2Na2O6
Exact Mass 422.049075 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3MruEUWM4Rd
Name 4-HYDROXYQUINALDIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7NO3
InChI InChI=1S/2C10H7NO3.2Na/c2*12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9;;/h2*1-5H,(H,11,12)(H,13,14);;/q;;2*+1/p-2
InChIKey QKVJLHRVHNQOTQ-UHFFFAOYSA-L
Melting Point 275-285C (dec.)
Molecular Weight 189.17
Solvent Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms KYNURENIC ACID QUINALDIC ACID, 4-HYDROXY-, 2-QUINOLINECARBOXYLIC ACID, 4-HYDROXY-,