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

*Links on SpectraBase are not permalinks.

Cyclohexanecarboxylic acid, 4-methoxy-2-methylbutyl ester

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

Cyclohexanecarboxylic acid, 4-methoxy-2-methylbutyl ester
SpectraBase Compound ID AZLM7oqXMll
InChI InChI=1S/C13H24O3/c1-11(8-9-15-2)10-16-13(14)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3
InChIKey GKGFDAYVMUTBPY-UHFFFAOYSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 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 FL9BahOy5Ec
Name Cyclohexanecarboxylic acid, 4-methoxy-2-methylbutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.172544630 u
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-11(8-9-15-2)10-16-13(14)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3
InChIKey GKGFDAYVMUTBPY-UHFFFAOYSA-N
Molecular Weight 228.332 g/mol
SMILES C1CCCCC1C(=O)OCC(CCOC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95561