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Fumaric acid, cyclopentylmethyl pentyl ester

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

Fumaric acid, cyclopentylmethyl pentyl ester
SpectraBase Compound ID 2UoQ5JUhJO5
InChI InChI=1S/C15H24O4/c1-2-3-6-11-18-14(16)9-10-15(17)19-12-13-7-4-5-8-13/h9-10,13H,2-8,11-12H2,1H3/b10-9+
InChIKey XYMRNGPLOWEHGW-MDZDMXLPSA-N
Mol Weight 268.35 g/mol
Molecular Formula C15H24O4
Exact Mass 268.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J4eDJk6OJMR
Name Fumaric acid, cyclopentylmethyl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.167459249 u
Formula C15H24O4
InChI InChI=1S/C15H24O4/c1-2-3-6-11-18-14(16)9-10-15(17)19-12-13-7-4-5-8-13/h9-10,13H,2-8,11-12H2,1H3/b10-9+
InChIKey XYMRNGPLOWEHGW-MDZDMXLPSA-N
Molecular Weight 268.353 g/mol
SMILES C(\C=C\C(OCC1CCCC1)=O)(OCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960487