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Cyclohexanecarboxylic acid, 3-tetradecyl ester

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

Cyclohexanecarboxylic acid, 3-tetradecyl ester
SpectraBase Compound ID 2d4WmDd4iGU
InChI InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-15-18-20(4-2)23-21(22)19-16-13-12-14-17-19/h19-20H,3-18H2,1-2H3
InChIKey HBKFVWRTKFHZKR-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 1Vi2MSgGb1h
Name Cyclohexanecarboxylic acid, 3-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/c1-3-5-6-7-8-9-10-11-15-18-20(4-2)23-21(22)19-16-13-12-14-17-19/h19-20H,3-18H2,1-2H3
InChIKey HBKFVWRTKFHZKR-UHFFFAOYSA-N
Molecular Weight 324.549 g/mol
SMILES CCC(OC(=O)C1CCCCC1)CCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935536