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Cyclohexanecarboxylic acid, 3-pentadecyl ester

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

Cyclohexanecarboxylic acid, 3-pentadecyl ester
SpectraBase Compound ID 7AZe6beNQLl
InChI InChI=1S/C22H42O2/c1-3-5-6-7-8-9-10-11-12-16-19-21(4-2)24-22(23)20-17-14-13-15-18-20/h20-21H,3-19H2,1-2H3
InChIKey TVKKOLPSILGHIT-UHFFFAOYSA-N
Mol Weight 338.6 g/mol
Molecular Formula C22H42O2
Exact Mass 338.318481 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9MbTB1Jwxjm
Name Cyclohexanecarboxylic acid, 3-pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.318480590 u
Formula C22H42O2
InChI InChI=1S/C22H42O2/c1-3-5-6-7-8-9-10-11-12-16-19-21(4-2)24-22(23)20-17-14-13-15-18-20/h20-21H,3-19H2,1-2H3
InChIKey TVKKOLPSILGHIT-UHFFFAOYSA-N
Molecular Weight 338.576 g/mol
SMILES CCC(OC(=O)C1CCCCC1)CCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911095