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Fumaric acid, dicyclopentylmethyl ester

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

Fumaric acid, dicyclopentylmethyl ester
SpectraBase Compound ID FEyhMGV7TuW
InChI InChI=1S/C16H24O4/c17-15(19-11-13-5-1-2-6-13)9-10-16(18)20-12-14-7-3-4-8-14/h9-10,13-14H,1-8,11-12H2/b10-9+
InChIKey SDQOOYBRBXBCNV-MDZDMXLPSA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hubpqt9qqKg
Name Fumaric acid, dicyclopentylmethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.167459249 u
Formula C16H24O4
InChI InChI=1S/C16H24O4/c17-15(19-11-13-5-1-2-6-13)9-10-16(18)20-12-14-7-3-4-8-14/h9-10,13-14H,1-8,11-12H2/b10-9+
InChIKey SDQOOYBRBXBCNV-MDZDMXLPSA-N
SMILES C1CC(COC(\C=C\C(OCC2CCCC2)=O)=O)CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969667