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Fumaric acid, hexadecyl pent-4-enyl ester

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

Fumaric acid, hexadecyl pent-4-enyl ester
SpectraBase Compound ID CLLcXXVMHSS
InChI InChI=1S/C25H44O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23-29-25(27)21-20-24(26)28-22-18-6-4-2/h4,20-21H,2-3,5-19,22-23H2,1H3/b21-20+
InChIKey VLNKWXUIAJGQCF-QZQOTICOSA-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 KCtnPTAF6Mx
Name Fumaric acid, hexadecyl pent-4-enyl 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/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23-29-25(27)21-20-24(26)28-22-18-6-4-2/h4,20-21H,2-3,5-19,22-23H2,1H3/b21-20+
InChIKey VLNKWXUIAJGQCF-QZQOTICOSA-N
Molecular Weight 408.623 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCCCCC)=O)(OCCCC=C)=O