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

*Links on SpectraBase are not permalinks.

Cyclohexanecarboxylic acid, 2-ethylhexyl ester

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

Cyclohexanecarboxylic acid, 2-ethylhexyl ester
SpectraBase Compound ID 6sfZLcgcZsK
InChI InChI=1S/C15H28O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h13-14H,3-12H2,1-2H3
InChIKey LIIGSIGMAHCMQM-UHFFFAOYSA-N
Mol Weight 240.39 g/mol
Molecular Formula C15H28O2
Exact Mass 240.20893 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 FeJdyd4ONOY
Name Cyclohexanecarboxylic acid, 2-ethylhexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.208930140 u
Formula C15H28O2
InChI InChI=1S/C15H28O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h13-14H,3-12H2,1-2H3
InChIKey LIIGSIGMAHCMQM-UHFFFAOYSA-N
Molecular Weight 240.387 g/mol
SMILES CCC(CCCC)COC(C1CCCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982445