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2-Oxocyclohexanecarboxylic acid, o-hydroxyphenyl ester

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

2-Oxocyclohexanecarboxylic acid, o-hydroxyphenyl ester
SpectraBase Compound ID 5TqU4Z6Lsvj
InChI InChI=1S/C13H14O4/c14-10-6-2-1-5-9(10)13(16)17-12-8-4-3-7-11(12)15/h3-4,7-9,15H,1-2,5-6H2
InChIKey DRTLAATXOYLVKS-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HGVDVk2O0mL
Name 2-Oxocyclohexanecarboxylic acid, o-hydroxyphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.089208927 u
Formula C13H14O4
InChI InChI=1S/C13H14O4/c14-10-6-2-1-5-9(10)13(16)17-12-8-4-3-7-11(12)15/h3-4,7-9,15H,1-2,5-6H2
InChIKey DRTLAATXOYLVKS-UHFFFAOYSA-N
Molecular Weight 234.251 g/mol
SMILES OC=1C=CC=CC1OC(C1CCCCC1=O)=O
Spectrum/Structure Validation Score (Raman) 0.859506