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Cyclohexanecarboxylic acid, 2,2-dimethylpropyl ester

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

Cyclohexanecarboxylic acid, 2,2-dimethylpropyl ester
SpectraBase Compound ID LRIsratKOVx
InChI InChI=1S/C12H22O2/c1-12(2,3)9-14-11(13)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3
InChIKey OYXFBRQIJFYDEE-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JGmVwK4lmCH
Name Cyclohexanecarboxylic acid, 2,2-dimethylpropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.161979946 u
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-12(2,3)9-14-11(13)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3
InChIKey OYXFBRQIJFYDEE-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
SMILES CC(C)(C)COC(=O)C1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941771