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Fumaric acid, 3-methylbut-2-yl pentadecyl ester

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

Fumaric acid, 3-methylbut-2-yl pentadecyl ester
SpectraBase Compound ID DMM9q72Ha5m
InChI InChI=1S/C24H44O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-23(25)18-19-24(26)28-22(4)21(2)3/h18-19,21-22H,5-17,20H2,1-4H3/b19-18+
InChIKey FWOAAOGKBHVIHX-VHEBQXMUSA-N
Mol Weight 396.6 g/mol
Molecular Formula C24H44O4
Exact Mass 396.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5VM089MdhKf
Name Fumaric acid, 3-methylbut-2-yl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.323959893 u
Formula C24H44O4
InChI InChI=1S/C24H44O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-23(25)18-19-24(26)28-22(4)21(2)3/h18-19,21-22H,5-17,20H2,1-4H3/b19-18+
InChIKey FWOAAOGKBHVIHX-VHEBQXMUSA-N
Molecular Weight 396.612 g/mol
SMILES C(\C=C\C(OC(C(C)C)C)=O)(OCCCCCCCCCCCCCCC)=O