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Cyclohexanecarboxylic acid, tetradecyl ester

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Cyclohexanecarboxylic acid, tetradecyl ester
SpectraBase Compound ID KbQCBKvobTl
InChI InChI=1S/C21H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-21(22)20-17-14-13-15-18-20/h20H,2-19H2,1H3
InChIKey DMWYYLBERADSHK-UHFFFAOYSA-N
Mol Weight 324.5 g/mol
Molecular Formula C21H40O2
Exact Mass 324.302831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID VCI1f91e5I
Name Cyclohexanecarboxylic acid, tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.302830526 u
Formula C21H40O2
InChI InChI=1S/C21H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-21(22)20-17-14-13-15-18-20/h20H,2-19H2,1H3
InChIKey DMWYYLBERADSHK-UHFFFAOYSA-N
Molecular Weight 324.549 g/mol
SMILES CCCCCCCCCCCCCCOC(=O)C1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94146