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Fumaric acid, cyclopentylmethyl dodecyl ester

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

Fumaric acid, cyclopentylmethyl dodecyl ester
SpectraBase Compound ID L24ljxWi63E
InChI InChI=1S/C22H38O4/c1-2-3-4-5-6-7-8-9-10-13-18-25-21(23)16-17-22(24)26-19-20-14-11-12-15-20/h16-17,20H,2-15,18-19H2,1H3/b17-16+
InChIKey NRHLRACWTQRSMU-WUKNDPDISA-N
Mol Weight 366.5 g/mol
Molecular Formula C22H38O4
Exact Mass 366.27701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IJv369JBFN7
Name Fumaric acid, cyclopentylmethyl dodecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.277009700 u
Formula C22H38O4
InChI InChI=1S/C22H38O4/c1-2-3-4-5-6-7-8-9-10-13-18-25-21(23)16-17-22(24)26-19-20-14-11-12-15-20/h16-17,20H,2-15,18-19H2,1H3/b17-16+
InChIKey NRHLRACWTQRSMU-WUKNDPDISA-N
Molecular Weight 366.542 g/mol
SMILES CCCCCCCCCCCCOC(\C=C\C(OCC1CCCC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970746