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

*Links on SpectraBase are not permalinks.

Fumaric acid, cyclohexylmethyl pentadecyl ester

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

Fumaric acid, cyclohexylmethyl pentadecyl ester
SpectraBase Compound ID BpghfQ7SvgX
InChI InChI=1S/C26H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-29-25(27)20-21-26(28)30-23-24-18-15-14-16-19-24/h20-21,24H,2-19,22-23H2,1H3/b21-20+
InChIKey FDJXJDALYPEQSH-QZQOTICOSA-N
Mol Weight 422.7 g/mol
Molecular Formula C26H46O4
Exact Mass 422.33961 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 CnHF21RVUNC
Name Fumaric acid, cyclohexylmethyl pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.339609957 u
Formula C26H46O4
InChI InChI=1S/C26H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-29-25(27)20-21-26(28)30-23-24-18-15-14-16-19-24/h20-21,24H,2-19,22-23H2,1H3/b21-20+
InChIKey FDJXJDALYPEQSH-QZQOTICOSA-N
Molecular Weight 422.650 g/mol
SMILES CCCCCCCCCCCCCCCOC(\C=C\C(OCC1CCCCC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913895