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

*Links on SpectraBase are not permalinks.

Cyclohexanecarboxylic acid, 4-methylpentyl ester

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

Cyclohexanecarboxylic acid, 4-methylpentyl ester
SpectraBase Compound ID F1526fZYrih
InChI InChI=1S/C13H24O2/c1-11(2)7-6-10-15-13(14)12-8-4-3-5-9-12/h11-12H,3-10H2,1-2H3
InChIKey YAIBBTZCDWTLFC-UHFFFAOYSA-N
Mol Weight 212.33 g/mol
Molecular Formula C13H24O2
Exact Mass 212.17763 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 AZJWZ1t6GWO
Name Cyclohexanecarboxylic acid, 4-methylpentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.177630011 u
Formula C13H24O2
InChI InChI=1S/C13H24O2/c1-11(2)7-6-10-15-13(14)12-8-4-3-5-9-12/h11-12H,3-10H2,1-2H3
InChIKey YAIBBTZCDWTLFC-UHFFFAOYSA-N
Molecular Weight 212.333 g/mol
SMILES CC(C)CCCOC(C1CCCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924927