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Fumaric acid, cyclopentylmethyl hexyl ester

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

Fumaric acid, cyclopentylmethyl hexyl ester
SpectraBase Compound ID 357DJZUjDpl
InChI InChI=1S/C16H26O4/c1-2-3-4-7-12-19-15(17)10-11-16(18)20-13-14-8-5-6-9-14/h10-11,14H,2-9,12-13H2,1H3/b11-10+
InChIKey JHVPPQHZWBFKTJ-ZHACJKMWSA-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 7Ypp4abqS76
Name Fumaric acid, cyclopentylmethyl hexyl 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/c1-2-3-4-7-12-19-15(17)10-11-16(18)20-13-14-8-5-6-9-14/h10-11,14H,2-9,12-13H2,1H3/b11-10+
InChIKey JHVPPQHZWBFKTJ-ZHACJKMWSA-N
SMILES C(\C=C\C(OCC1CCCC1)=O)(OCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870469