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

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

Fumaric acid, 3-methylbut-2-yl pentyl ester
SpectraBase Compound ID XTxwsYRktg
InChI InChI=1S/C14H24O4/c1-5-6-7-10-17-13(15)8-9-14(16)18-12(4)11(2)3/h8-9,11-12H,5-7,10H2,1-4H3/b9-8+
InChIKey YGSZSBLSSQIVRK-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 A9JCpny7nE
Name Fumaric acid, 3-methylbut-2-yl pentyl 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/c1-5-6-7-10-17-13(15)8-9-14(16)18-12(4)11(2)3/h8-9,11-12H,5-7,10H2,1-4H3/b9-8+
InChIKey YGSZSBLSSQIVRK-CMDGGOBGSA-N
Molecular Weight 256.342 g/mol
SMILES C(\C=C\C(OC(C(C)C)C)=O)(OCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954146