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Fumaric acid, 3,4-dimethylphenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 3,4-dimethylphenyl tetradecyl ester
SpectraBase Compound ID 5vq11WTLrN5
InChI InChI=1S/C26H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-29-25(27)18-19-26(28)30-24-17-16-22(2)23(3)21-24/h16-19,21H,4-15,20H2,1-3H3/b19-18+
InChIKey OFOXZVYXCXVQRQ-VHEBQXMUSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H40O4
Exact Mass 416.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KvAypuR1sYE
Name Fumaric acid, 3,4-dimethylphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.292659764 u
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-29-25(27)18-19-26(28)30-24-17-16-22(2)23(3)21-24/h16-19,21H,4-15,20H2,1-3H3/b19-18+
InChIKey OFOXZVYXCXVQRQ-VHEBQXMUSA-N
Molecular Weight 416.602 g/mol
SMILES C(CCCCOC(\C=C\C(OC1=CC=C(C(=C1)C)C)=O)=O)CCCCCCCCC