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Fumaric acid, ethyl 4-octyl ester

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

Fumaric acid, ethyl 4-octyl ester
SpectraBase Compound ID Fn1aje3UH23
InChI InChI=1S/C14H24O4/c1-4-7-9-12(8-5-2)18-14(16)11-10-13(15)17-6-3/h10-12H,4-9H2,1-3H3/b11-10+
InChIKey BZPJBINKUUKKIQ-ZHACJKMWSA-N
Mol Weight 256.34 g/mol
Molecular Formula C14H24O4
Exact Mass 256.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B9ozNjdD0JU
Name Fumaric acid, ethyl 4-octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.167459249 u
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-4-7-9-12(8-5-2)18-14(16)11-10-13(15)17-6-3/h10-12H,4-9H2,1-3H3/b11-10+
InChIKey BZPJBINKUUKKIQ-ZHACJKMWSA-N
Molecular Weight 256.342 g/mol
SMILES CCOC(\C=C\C(OC(CCCC)CCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954787