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Fumaric acid, hexadecyl 3-methylbut-3-enyl ester

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

Fumaric acid, hexadecyl 3-methylbut-3-enyl ester
SpectraBase Compound ID IqkuPmqLDq0
InChI InChI=1S/C25H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-24(26)18-19-25(27)29-22-20-23(2)3/h18-19H,2,4-17,20-22H2,1,3H3/b19-18+
InChIKey GQHTXJIFMBTDTO-VHEBQXMUSA-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 DEKLEDAJk76
Name Fumaric acid, hexadecyl 3-methylbut-3-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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-24(26)18-19-25(27)29-22-20-23(2)3/h18-19H,2,4-17,20-22H2,1,3H3/b19-18+
InChIKey GQHTXJIFMBTDTO-VHEBQXMUSA-N
Molecular Weight 408.623 g/mol
SMILES CC(=C)CCOC(\C=C\C(OCCCCCCCCCCCCCCCC)=O)=O