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

*Links on SpectraBase are not permalinks.

3-Cyclopentylpropionic acid, 2-methylpentyl ester

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

3-Cyclopentylpropionic acid, 2-methylpentyl ester
SpectraBase Compound ID 1AX7rdPCCMf
InChI InChI=1S/C14H26O2/c1-3-6-12(2)11-16-14(15)10-9-13-7-4-5-8-13/h12-13H,3-11H2,1-2H3
InChIKey MGFKGBKGQDWMBS-UHFFFAOYSA-N
Mol Weight 226.36 g/mol
Molecular Formula C14H26O2
Exact Mass 226.19328 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 2LIbxJoSGm4
Name 3-Cyclopentylpropionic acid, 2-methylpentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.193280075 u
Formula C14H26O2
InChI InChI=1S/C14H26O2/c1-3-6-12(2)11-16-14(15)10-9-13-7-4-5-8-13/h12-13H,3-11H2,1-2H3
InChIKey MGFKGBKGQDWMBS-UHFFFAOYSA-N
Molecular Weight 226.360 g/mol
SMILES C1(CCCC1)CCC(=O)OCC(CCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968718