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

*Links on SpectraBase are not permalinks.

3-Octenoic acid, hexadecyl ester

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

3-Octenoic acid, hexadecyl ester
SpectraBase Compound ID BwAE7QYAylN
InChI InChI=1S/C24H46O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23-26-24(25)22-20-18-8-6-4-2/h18,20H,3-17,19,21-23H2,1-2H3/b20-18+
InChIKey MNVQHBRILWMBLM-CZIZESTLSA-N
Mol Weight 366.6 g/mol
Molecular Formula C24H46O2
Exact Mass 366.349781 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 3gC6bb0Z5ZC
Name 3-Octenoic acid, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.349780719 u
Formula C24H46O2
InChI InChI=1S/C24H46O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23-26-24(25)22-20-18-8-6-4-2/h18,20H,3-17,19,21-23H2,1-2H3/b20-18+
InChIKey MNVQHBRILWMBLM-CZIZESTLSA-N
Molecular Weight 366.630 g/mol
SMILES C(\C=C\CCCC)C(OCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938691