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

*Links on SpectraBase are not permalinks.

Fumaric acid, 2-butyl heptadecyl ester

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

Fumaric acid, 2-butyl heptadecyl ester
SpectraBase Compound ID 5rH5ALKq9Zn
InChI InChI=1S/C25H46O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28-24(26)20-21-25(27)29-23(3)5-2/h20-21,23H,4-19,22H2,1-3H3/b21-20+
InChIKey IEYAULQHFNVVCB-QZQOTICOSA-N
Mol Weight 410.6 g/mol
Molecular Formula C25H46O4
Exact Mass 410.33961 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 2AIpyJM8v2p
Name Fumaric acid, 2-butyl heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.339609957 u
Formula C25H46O4
InChI InChI=1S/C25H46O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28-24(26)20-21-25(27)29-23(3)5-2/h20-21,23H,4-19,22H2,1-3H3/b21-20+
InChIKey IEYAULQHFNVVCB-QZQOTICOSA-N
Molecular Weight 410.639 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCCCCCC)=O)(OC(CC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937267