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

*Links on SpectraBase are not permalinks.

Benzenepropionic acid, 4-tridecyl ester

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

Benzenepropionic acid, 4-tridecyl ester
SpectraBase Compound ID 5LaszGowBf7
InChI InChI=1S/C22H36O2/c1-3-5-6-7-8-9-13-17-21(14-4-2)24-22(23)19-18-20-15-11-10-12-16-20/h10-12,15-16,21H,3-9,13-14,17-19H2,1-2H3
InChIKey DHPNKDUFIFVSJL-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 GXGOQMy7NGj
Name Benzenepropionic acid, 4-tridecyl 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/c1-3-5-6-7-8-9-13-17-21(14-4-2)24-22(23)19-18-20-15-11-10-12-16-20/h10-12,15-16,21H,3-9,13-14,17-19H2,1-2H3
InChIKey DHPNKDUFIFVSJL-UHFFFAOYSA-N
Molecular Weight 332.528 g/mol
SMILES C1=CC=CC(=C1)CCC(OC(CCCCCCCCC)CCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95281