For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Cyclohexanecarboxylic acid, 4-pentadecyl ester

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

Cyclohexanecarboxylic acid, 4-pentadecyl ester
SpectraBase Compound ID JWyitCjguFt
InChI InChI=1S/C22H42O2/c1-3-5-6-7-8-9-10-11-15-19-21(16-4-2)24-22(23)20-17-13-12-14-18-20/h20-21H,3-19H2,1-2H3
InChIKey HKBJVGHWDUENEF-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AbzYccEmntr
Name Cyclohexanecarboxylic acid, 4-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/c1-3-5-6-7-8-9-10-11-15-19-21(16-4-2)24-22(23)20-17-13-12-14-18-20/h20-21H,3-19H2,1-2H3
InChIKey HKBJVGHWDUENEF-UHFFFAOYSA-N
Molecular Weight 338.576 g/mol
SMILES CCCC(OC(=O)C1CCCCC1)CCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897949