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Fumaric acid, 3,3-dimethylbut-2-yl isobutyl ester

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

Fumaric acid, 3,3-dimethylbut-2-yl isobutyl ester
SpectraBase Compound ID Adp5gw95W7r
InChI InChI=1S/C14H24O4/c1-10(2)9-17-12(15)7-8-13(16)18-11(3)14(4,5)6/h7-8,10-11H,9H2,1-6H3/b8-7+
InChIKey GDOAQDJHOVUXRA-BQYQJAHWSA-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 JZxI9ECwePa
Name Fumaric acid, 3,3-dimethylbut-2-yl isobutyl 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/c1-10(2)9-17-12(15)7-8-13(16)18-11(3)14(4,5)6/h7-8,10-11H,9H2,1-6H3/b8-7+
InChIKey GDOAQDJHOVUXRA-BQYQJAHWSA-N
Molecular Weight 256.342 g/mol
SMILES C(OC(C(C)(C)C)C)(\C=C\C(OCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976834