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

*Links on SpectraBase are not permalinks.

Benzoic acid, 4-propyl-, hexadecyl ester

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

Benzoic acid, 4-propyl-, hexadecyl ester
SpectraBase Compound ID Iv4tVhyOBd3
InChI InChI=1S/C26H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-23-28-26(27)25-21-19-24(18-4-2)20-22-25/h19-22H,3-18,23H2,1-2H3
InChIKey PJRSWDYDAILEIB-UHFFFAOYSA-N
Mol Weight 388.6 g/mol
Molecular Formula C26H44O2
Exact Mass 388.334131 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 89uiMA62rDs
Name Benzoic acid, 4-propyl-, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.334130655 u
Formula C26H44O2
InChI InChI=1S/C26H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-23-28-26(27)25-21-19-24(18-4-2)20-22-25/h19-22H,3-18,23H2,1-2H3
InChIKey PJRSWDYDAILEIB-UHFFFAOYSA-N
Molecular Weight 388.636 g/mol
SMILES C(OCCCCCCCCCCCCCCCC)(=O)C1=CC=C(CCC)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933162