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Fumaric acid, 2-decyl isobutyl ester

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

Fumaric acid, 2-decyl isobutyl ester
SpectraBase Compound ID FK2F3RinYSd
InChI InChI=1S/C18H32O4/c1-5-6-7-8-9-10-11-16(4)22-18(20)13-12-17(19)21-14-15(2)3/h12-13,15-16H,5-11,14H2,1-4H3/b13-12+
InChIKey IIUWHOOOIYSQHK-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 7CQgbL6BmPE
Name Fumaric acid, 2-decyl isobutyl 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/c1-5-6-7-8-9-10-11-16(4)22-18(20)13-12-17(19)21-14-15(2)3/h12-13,15-16H,5-11,14H2,1-4H3/b13-12+
InChIKey IIUWHOOOIYSQHK-OUKQBFOZSA-N
Molecular Weight 312.450 g/mol
SMILES C(OC(CCCCCCCC)C)(\C=C\C(OCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89483