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Fumaric acid, 3-methylbutyl 3-methylbut-2-yl ester

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

Fumaric acid, 3-methylbutyl 3-methylbut-2-yl ester
SpectraBase Compound ID IkOv6zzVnYX
InChI InChI=1S/C14H24O4/c1-10(2)8-9-17-13(15)6-7-14(16)18-12(5)11(3)4/h6-7,10-12H,8-9H2,1-5H3/b7-6+
InChIKey SUKUBDSKMDHWTI-VOTSOKGWSA-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 H08VC8EdtgJ
Name Fumaric acid, 3-methylbutyl 3-methylbut-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/c1-10(2)8-9-17-13(15)6-7-14(16)18-12(5)11(3)4/h6-7,10-12H,8-9H2,1-5H3/b7-6+
InChIKey SUKUBDSKMDHWTI-VOTSOKGWSA-N
Molecular Weight 256.342 g/mol
SMILES C(\C=C\C(OC(C(C)C)C)=O)(OCCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986964