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

*Links on SpectraBase are not permalinks.

Fumaric acid, cyclohexylmethyl decyl ester

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

Fumaric acid, cyclohexylmethyl decyl ester
SpectraBase Compound ID GXDAA8JriKg
InChI InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-12-17-24-20(22)15-16-21(23)25-18-19-13-10-9-11-14-19/h15-16,19H,2-14,17-18H2,1H3/b16-15+
InChIKey LCPVICGUVWLULZ-FOCLMDBBSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 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 AXTorMLjZ0k
Name Fumaric acid, cyclohexylmethyl decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.261359635 u
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-12-17-24-20(22)15-16-21(23)25-18-19-13-10-9-11-14-19/h15-16,19H,2-14,17-18H2,1H3/b16-15+
InChIKey LCPVICGUVWLULZ-FOCLMDBBSA-N
Molecular Weight 352.515 g/mol
SMILES C1(CCCCC1)COC(\C=C\C(OCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959118