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Fumaric acid, 3,4-dimethoxyphenyl undecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 3,4-dimethoxyphenyl undecyl ester
SpectraBase Compound ID AnzlCnThmyy
InChI InChI=1S/C23H34O6/c1-4-5-6-7-8-9-10-11-12-17-28-22(24)15-16-23(25)29-19-13-14-20(26-2)21(18-19)27-3/h13-16,18H,4-12,17H2,1-3H3/b16-15+
InChIKey ZAIFUMROOCZVLN-FOCLMDBBSA-N
Mol Weight 406.5 g/mol
Molecular Formula C23H34O6
Exact Mass 406.235539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gc92Mlwgx5a
Name Fumaric acid, 3,4-dimethoxyphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.235538809 u
Formula C23H34O6
InChI InChI=1S/C23H34O6/c1-4-5-6-7-8-9-10-11-12-17-28-22(24)15-16-23(25)29-19-13-14-20(26-2)21(18-19)27-3/h13-16,18H,4-12,17H2,1-3H3/b16-15+
InChIKey ZAIFUMROOCZVLN-FOCLMDBBSA-N
Molecular Weight 406.519 g/mol
SMILES COC1=CC(OC(\C=C\C(OCCCCCCCCCCC)=O)=O)=CC=C1OC