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Fumaric acid, cyclopentylmethyl heptyl ester

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

Fumaric acid, cyclopentylmethyl heptyl ester
SpectraBase Compound ID KtJD3wYVFmr
InChI InChI=1S/C17H28O4/c1-2-3-4-5-8-13-20-16(18)11-12-17(19)21-14-15-9-6-7-10-15/h11-12,15H,2-10,13-14H2,1H3/b12-11+
InChIKey MBYGSWHGTFECSH-VAWYXSNFSA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FQUSZmEFQkr
Name Fumaric acid, cyclopentylmethyl heptyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.198759378 u
Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-2-3-4-5-8-13-20-16(18)11-12-17(19)21-14-15-9-6-7-10-15/h11-12,15H,2-10,13-14H2,1H3/b12-11+
InChIKey MBYGSWHGTFECSH-VAWYXSNFSA-N
Molecular Weight 296.407 g/mol
SMILES C(\C=C\C(OCC1CCCC1)=O)(OCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.804868