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Fumaric acid, 2-ethylhexyl isobutyl ester

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

Fumaric acid, 2-ethylhexyl isobutyl ester
SpectraBase Compound ID Li5GRxNeph4
InChI InChI=1S/C16H28O4/c1-5-7-8-14(6-2)12-20-16(18)10-9-15(17)19-11-13(3)4/h9-10,13-14H,5-8,11-12H2,1-4H3/b10-9+
InChIKey WJTCKRBVRGOHHP-MDZDMXLPSA-N
Mol Weight 284.4 g/mol
Molecular Formula C16H28O4
Exact Mass 284.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FKjW132jDHg
Name Fumaric acid, 2-ethylhexyl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.198759378 u
Formula C16H28O4
InChI InChI=1S/C16H28O4/c1-5-7-8-14(6-2)12-20-16(18)10-9-15(17)19-11-13(3)4/h9-10,13-14H,5-8,11-12H2,1-4H3/b10-9+
InChIKey WJTCKRBVRGOHHP-MDZDMXLPSA-N
SMILES C(\C=C\C(OCC(CCCC)CC)=O)(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.990977