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Fumaric acid, 2-methyl-4-methoxybutyl tetradecyl ester

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

Fumaric acid, 2-methyl-4-methoxybutyl tetradecyl ester
SpectraBase Compound ID AAhIjTOcR6Z
InChI InChI=1S/C24H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-28-23(25)16-17-24(26)29-21-22(2)18-20-27-3/h16-17,22H,4-15,18-21H2,1-3H3/b17-16+
InChIKey SIUVWSUDCBYCDB-WUKNDPDISA-N
Mol Weight 412.6 g/mol
Molecular Formula C24H44O5
Exact Mass 412.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DknXZmbbVZb
Name Fumaric acid, 2-methyl-4-methoxybutyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.318874512 u
Formula C24H44O5
InChI InChI=1S/C24H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-28-23(25)16-17-24(26)29-21-22(2)18-20-27-3/h16-17,22H,4-15,18-21H2,1-3H3/b17-16+
InChIKey SIUVWSUDCBYCDB-WUKNDPDISA-N
Molecular Weight 412.611 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCCC)=O)(OCC(CCOC)C)=O