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Fumaric acid, cyclopentylmethyl isobutyl ester

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

Fumaric acid, cyclopentylmethyl isobutyl ester
SpectraBase Compound ID FMJcXXaLq3n
InChI InChI=1S/C14H22O4/c1-11(2)9-17-13(15)7-8-14(16)18-10-12-5-3-4-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+
InChIKey DCTNGJRTPXKWOH-BQYQJAHWSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6jRmdhHjIkf
Name Fumaric acid, cyclopentylmethyl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.151809184 u
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-11(2)9-17-13(15)7-8-14(16)18-10-12-5-3-4-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+
InChIKey DCTNGJRTPXKWOH-BQYQJAHWSA-N
Molecular Weight 254.326 g/mol
SMILES C(\C=C\C(OCC1CCCC1)=O)(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907818