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Fumaric acid, hexyl tetradec-3-enyl ester

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

Fumaric acid, hexyl tetradec-3-enyl ester
SpectraBase Compound ID JUrPzABdNlZ
InChI InChI=1S/C24H42O4/c1-3-5-7-9-10-11-12-13-14-15-16-18-22-28-24(26)20-19-23(25)27-21-17-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3/b16-15+,20-19+
InChIKey UXDMUNOWESHSTL-LMOVRVBNSA-N
Mol Weight 394.6 g/mol
Molecular Formula C24H42O4
Exact Mass 394.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HaZFvXxsQ6o
Name Fumaric acid, hexyl tetradec-3-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.308309828 u
Formula C24H42O4
InChI InChI=1S/C24H42O4/c1-3-5-7-9-10-11-12-13-14-15-16-18-22-28-24(26)20-19-23(25)27-21-17-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3/b16-15+,20-19+
InChIKey UXDMUNOWESHSTL-LMOVRVBNSA-N
Molecular Weight 394.596 g/mol
SMILES C(\C=C\C(OCCCCCC)=O)(OCC\C=C\CCCCCCCCCC)=O