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

*Links on SpectraBase are not permalinks.

2-Heptenoic acid, tridecyl ester

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

2-Heptenoic acid, tridecyl ester
SpectraBase Compound ID HI7ow3UsaEo
InChI InChI=1S/C20H38O2/c1-3-5-7-9-10-11-12-13-14-15-17-19-22-20(21)18-16-8-6-4-2/h16,18H,3-15,17,19H2,1-2H3/b18-16+
InChIKey XLOGXVLKOINOTI-FBMGVBCBSA-N
Mol Weight 310.5 g/mol
Molecular Formula C20H38O2
Exact Mass 310.28718 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 GPnE9RPyzD9
Name 2-Heptenoic acid, tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.287180462 u
Formula C20H38O2
InChI InChI=1S/C20H38O2/c1-3-5-7-9-10-11-12-13-14-15-17-19-22-20(21)18-16-8-6-4-2/h16,18H,3-15,17,19H2,1-2H3/b18-16+
InChIKey XLOGXVLKOINOTI-FBMGVBCBSA-N
Molecular Weight 310.522 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCC)=O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954915