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Fumaric acid, 1-cyclopentylethyl tetradecyl ester

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

Fumaric acid, 1-cyclopentylethyl tetradecyl ester
SpectraBase Compound ID 3Upqxrpr9Ny
InChI InChI=1S/C25H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-28-24(26)19-20-25(27)29-22(2)23-17-14-15-18-23/h19-20,22-23H,3-18,21H2,1-2H3/b20-19+
InChIKey JARJDQDGFIVLRP-FMQUCBEESA-N
Mol Weight 408.6 g/mol
Molecular Formula C25H44O4
Exact Mass 408.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22PQioZ6jMv
Name Fumaric acid, 1-cyclopentylethyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.323959893 u
Formula C25H44O4
InChI InChI=1S/C25H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-28-24(26)19-20-25(27)29-22(2)23-17-14-15-18-23/h19-20,22-23H,3-18,21H2,1-2H3/b20-19+
InChIKey JARJDQDGFIVLRP-FMQUCBEESA-N
Molecular Weight 408.623 g/mol
SMILES CC(OC(\C=C\C(OCCCCCCCCCCCCCC)=O)=O)C1CCCC1