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

*Links on SpectraBase are not permalinks.

Octanoic acid, 4-tridecyl ester

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

Octanoic acid, 4-tridecyl ester
SpectraBase Compound ID Fm5Rdk5JBOv
InChI InChI=1S/C21H42O2/c1-4-7-9-11-12-14-15-18-20(17-6-3)23-21(22)19-16-13-10-8-5-2/h20H,4-19H2,1-3H3
InChIKey HEEYQSLSTHLVGF-UHFFFAOYSA-N
Mol Weight 326.6 g/mol
Molecular Formula C21H42O2
Exact Mass 326.318481 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 4tMoQFgkLbj
Name Octanoic acid, 4-tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.318480590 u
Formula C21H42O2
InChI InChI=1S/C21H42O2/c1-4-7-9-11-12-14-15-18-20(17-6-3)23-21(22)19-16-13-10-8-5-2/h20H,4-19H2,1-3H3
InChIKey HEEYQSLSTHLVGF-UHFFFAOYSA-N
Molecular Weight 326.565 g/mol
SMILES CCCC(CCCCCCCCC)OC(=O)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938537