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

*Links on SpectraBase are not permalinks.

Fumaric acid 2-heptyl nonyl ester

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

Fumaric acid 2-heptyl nonyl ester
SpectraBase Compound ID 7r1VvGeLptB
InChI InChI=1S/C20H36O4/c1-4-6-8-9-10-11-13-17-23-19(21)15-16-20(22)24-18(3)14-12-7-5-2/h15-16,18H,4-14,17H2,1-3H3/b16-15+
InChIKey SXXSYYZWWXTQQZ-FOCLMDBBSA-N
Mol Weight 340.5 g/mol
Molecular Formula C20H36O4
Exact Mass 340.26136 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 Gs54IXEaXCZ
Name Fumaric acid 2-heptyl nonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.261359635 u
Formula C20H36O4
InChI InChI=1S/C20H36O4/c1-4-6-8-9-10-11-13-17-23-19(21)15-16-20(22)24-18(3)14-12-7-5-2/h15-16,18H,4-14,17H2,1-3H3/b16-15+
InChIKey SXXSYYZWWXTQQZ-FOCLMDBBSA-N
Molecular Weight 340.504 g/mol
SMILES C(\C=C\C(OCCCCCCCCC)=O)(OC(CCCCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986826