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Fumaric acid, 2,4-dimethylpent-3-yl isobutyl ester

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

Fumaric acid, 2,4-dimethylpent-3-yl isobutyl ester
SpectraBase Compound ID 4zBOLYc0EVz
InChI InChI=1S/C15H26O4/c1-10(2)9-18-13(16)7-8-14(17)19-15(11(3)4)12(5)6/h7-8,10-12,15H,9H2,1-6H3/b8-7+
InChIKey QANAKYZRMNKEAK-BQYQJAHWSA-N
Mol Weight 270.37 g/mol
Molecular Formula C15H26O4
Exact Mass 270.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K8qQxVnRGUO
Name Fumaric acid, 2,4-dimethylpent-3-yl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.183109313 u
Formula C15H26O4
InChI InChI=1S/C15H26O4/c1-10(2)9-18-13(16)7-8-14(17)19-15(11(3)4)12(5)6/h7-8,10-12,15H,9H2,1-6H3/b8-7+
InChIKey QANAKYZRMNKEAK-BQYQJAHWSA-N
Molecular Weight 270.369 g/mol
SMILES C(OC(C(C)C)C(C)C)(\C=C\C(OCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96693