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Cyclohexanecarboxylic acid, 2-oxocyclohexyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Cyclohexanecarboxylic acid, 2-oxocyclohexyl ester
SpectraBase Compound ID F80u05TNncN
InChI InChI=1S/C13H20O3/c14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10/h10,12H,1-9H2
InChIKey LRCHNMTYHHXXMY-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6wVWalSF1Re
Name Cyclohexanecarboxylic acid, 2-oxocyclohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.141244501 u
Formula C13H20O3
InChI InChI=1S/C13H20O3/c14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10/h10,12H,1-9H2
InChIKey LRCHNMTYHHXXMY-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C(OC1C(=O)CCCC1)(=O)C1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976885