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

*Links on SpectraBase are not permalinks.

Benzoic acid, 3-methyl-, 2-methylpentyl ester

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

Benzoic acid, 3-methyl-, 2-methylpentyl ester
SpectraBase Compound ID 24lOiuyl63h
InChI InChI=1S/C14H20O2/c1-4-6-12(3)10-16-14(15)13-8-5-7-11(2)9-13/h5,7-9,12H,4,6,10H2,1-3H3
InChIKey OZKOMPPHFFQKGN-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 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 AKBJ7KSRE6
Name Benzoic acid, 3-methyl-, 2-methylpentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.146329882 u
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-4-6-12(3)10-16-14(15)13-8-5-7-11(2)9-13/h5,7-9,12H,4,6,10H2,1-3H3
InChIKey OZKOMPPHFFQKGN-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES C1=CC=C(C=C1C)C(=O)OCC(CCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87047