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1,2-Dihydro-4-hydroxy-2-oxo-3-quinolineacetic acid, methyl ester

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

1,2-Dihydro-4-hydroxy-2-oxo-3-quinolineacetic acid, methyl ester
SpectraBase Compound ID KQcbUTbTI3E
InChI InChI=1S/C12H11NO4/c1-17-10(14)6-8-11(15)7-4-2-3-5-9(7)13-12(8)16/h2-5H,6H2,1H3,(H2,13,15,16)
InChIKey WKLBKDODKZAROM-UHFFFAOYSA-N
Mol Weight 233.22 g/mol
Molecular Formula C12H11NO4
Exact Mass 233.068808 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID D1VYiFxkn5M
Name 1,2-Dihydro-4-hydroxy-2-oxo-3-quinolineacetic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.068807834 u
Formula C12H11NO4
InChI InChI=1S/C12H11NO4/c1-17-10(14)6-8-11(15)7-4-2-3-5-9(7)13-12(8)16/h2-5H,6H2,1H3,(H2,13,15,16)
InChIKey WKLBKDODKZAROM-UHFFFAOYSA-N
Molecular Weight 233.223 g/mol
SMILES OC=1C=2C=CC=CC2NC(C1CC(=O)OC)=O
Spectrum/Structure Validation Score (Raman) 0.916013