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Fumaric acid, cyclopentylmethyl pentadecyl ester

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

Fumaric acid, cyclopentylmethyl pentadecyl ester
SpectraBase Compound ID 9yoCCOtKxkp
InChI InChI=1S/C25H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-28-24(26)19-20-25(27)29-22-23-17-14-15-18-23/h19-20,23H,2-18,21-22H2,1H3/b20-19+
InChIKey FUMQEYZZTMFKJK-FMQUCBEESA-N
Mol Weight 408.6 g/mol
Molecular Formula C25H44O4
Exact Mass 408.32396 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KFG1cnbinUs
Name Fumaric acid, cyclopentylmethyl pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.323959893 u
Formula C25H44O4
InChI InChI=1S/C25H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-28-24(26)19-20-25(27)29-22-23-17-14-15-18-23/h19-20,23H,2-18,21-22H2,1H3/b20-19+
InChIKey FUMQEYZZTMFKJK-FMQUCBEESA-N
Molecular Weight 408.623 g/mol
SMILES C(\C=C\C(OCC1CCCC1)=O)(OCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933737