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Fumaric acid, 2-ethylbutyl octyl ester

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

Fumaric acid, 2-ethylbutyl octyl ester
SpectraBase Compound ID Iid7Z4U9MD7
InChI InChI=1S/C18H32O4/c1-4-7-8-9-10-11-14-21-17(19)12-13-18(20)22-15-16(5-2)6-3/h12-13,16H,4-11,14-15H2,1-3H3/b13-12+
InChIKey RJTHVBSTEULBIT-OUKQBFOZSA-N
Mol Weight 312.5 g/mol
Molecular Formula C18H32O4
Exact Mass 312.23006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E4KMTBXNFQm
Name Fumaric acid, 2-ethylbutyl octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.230059506 u
Formula C18H32O4
InChI InChI=1S/C18H32O4/c1-4-7-8-9-10-11-14-21-17(19)12-13-18(20)22-15-16(5-2)6-3/h12-13,16H,4-11,14-15H2,1-3H3/b13-12+
InChIKey RJTHVBSTEULBIT-OUKQBFOZSA-N
Molecular Weight 312.450 g/mol
SMILES CCC(CC)COC(\C=C\C(OCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905592