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

*Links on SpectraBase are not permalinks.

Benzeneacetic acid, tetradecyl ester

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

Benzeneacetic acid, tetradecyl ester
SpectraBase Compound ID Jej9fP5dVDS
InChI InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-24-22(23)20-21-17-14-13-15-18-21/h13-15,17-18H,2-12,16,19-20H2,1H3
InChIKey GTBJMTOEHHPIMV-UHFFFAOYSA-N
Mol Weight 332.5 g/mol
Molecular Formula C22H36O2
Exact Mass 332.27153 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 KfTAkBAda9H
Name Benzeneacetic acid, tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.271530397 u
Formula C22H36O2
InChI InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-24-22(23)20-21-17-14-13-15-18-21/h13-15,17-18H,2-12,16,19-20H2,1H3
InChIKey GTBJMTOEHHPIMV-UHFFFAOYSA-N
Molecular Weight 332.528 g/mol
SMILES C1=CC(CC(OCCCCCCCCCCCCCC)=O)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939483