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Fumaric acid, cyclopentylmethyl isohexyl ester

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

Fumaric acid, cyclopentylmethyl isohexyl ester
SpectraBase Compound ID LIQbGzwOKhZ
InChI InChI=1S/C16H26O4/c1-13(2)6-5-11-19-15(17)9-10-16(18)20-12-14-7-3-4-8-14/h9-10,13-14H,3-8,11-12H2,1-2H3/b10-9+
InChIKey AHJRJRCJWGLQGT-MDZDMXLPSA-N
Mol Weight 282.38 g/mol
Molecular Formula C16H26O4
Exact Mass 282.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KH8sw9BCYrM
Name Fumaric acid, cyclopentylmethyl isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.183109313 u
Formula C16H26O4
InChI InChI=1S/C16H26O4/c1-13(2)6-5-11-19-15(17)9-10-16(18)20-12-14-7-3-4-8-14/h9-10,13-14H,3-8,11-12H2,1-2H3/b10-9+
InChIKey AHJRJRCJWGLQGT-MDZDMXLPSA-N
SMILES C(\C=C\C(OCCCC(C)C)=O)(OCC1CCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948365