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1-Hydroxy-2-anthroic acid, phenyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

1-Hydroxy-2-anthroic acid, phenyl ester
SpectraBase Compound ID 8OJJWGc3l64
InChI InChI=1S/C21H14O3/c22-20-18(21(23)24-17-8-2-1-3-9-17)11-10-16-12-14-6-4-5-7-15(14)13-19(16)20/h1-13,22H
InChIKey BHQPEIFKZNXNND-UHFFFAOYSA-N
Mol Weight 314.34 g/mol
Molecular Formula C21H14O3
Exact Mass 314.094294 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9hq00Rg67E7
Name 1-Hydroxy-2-anthroic acid, phenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.094294308 u
Formula C21H14O3
InChI InChI=1S/C21H14O3/c22-20-18(21(23)24-17-8-2-1-3-9-17)11-10-16-12-14-6-4-5-7-15(14)13-19(16)20/h1-13,22H
InChIKey BHQPEIFKZNXNND-UHFFFAOYSA-N
Molecular Weight 314.340 g/mol
SMILES OC1=C(C=CC2=CC=3C=CC=CC3C=C12)C(OC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Raman) 0.923671