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

*Links on SpectraBase are not permalinks.

Fumaric acid, heptyl 2-methyl-4-methoxybutyl ester

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

Fumaric acid, heptyl 2-methyl-4-methoxybutyl ester
SpectraBase Compound ID HtwDeWtd9Ff
InChI InChI=1S/C17H30O5/c1-4-5-6-7-8-12-21-16(18)9-10-17(19)22-14-15(2)11-13-20-3/h9-10,15H,4-8,11-14H2,1-3H3/b10-9+
InChIKey IXMLGEQQKMQBFR-MDZDMXLPSA-N
Mol Weight 314.42 g/mol
Molecular Formula C17H30O5
Exact Mass 314.209324 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 Kl0yaEfW85w
Name Fumaric acid, heptyl 2-methyl-4-methoxybutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.209324061 u
Formula C17H30O5
InChI InChI=1S/C17H30O5/c1-4-5-6-7-8-12-21-16(18)9-10-17(19)22-14-15(2)11-13-20-3/h9-10,15H,4-8,11-14H2,1-3H3/b10-9+
InChIKey IXMLGEQQKMQBFR-MDZDMXLPSA-N
SMILES CCCCCCCOC(\C=C\C(OCC(CCOC)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829792