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

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

Fumaric acid, butyl 3,3-dimethylbut-2-yl ester
SpectraBase Compound ID EfMTpEm0H3K
InChI InChI=1S/C14H24O4/c1-6-7-10-17-12(15)8-9-13(16)18-11(2)14(3,4)5/h8-9,11H,6-7,10H2,1-5H3/b9-8+
InChIKey CQZZIOVGONTWTC-CMDGGOBGSA-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 Bi3sCEgIAj2
Name Fumaric acid, butyl 3,3-dimethylbut-2-yl 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/c1-6-7-10-17-12(15)8-9-13(16)18-11(2)14(3,4)5/h8-9,11H,6-7,10H2,1-5H3/b9-8+
InChIKey CQZZIOVGONTWTC-CMDGGOBGSA-N
Molecular Weight 256.342 g/mol
SMILES C(OC(C(C)(C)C)C)(\C=C\C(OCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969872