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Fumaric acid, 2,6-dimethoxyphenyl 2-ethylhexyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2,6-dimethoxyphenyl 2-ethylhexyl ester
SpectraBase Compound ID kHEOmiz8YT
InChI InChI=1S/C20H28O6/c1-5-7-9-15(6-2)14-25-18(21)12-13-19(22)26-20-16(23-3)10-8-11-17(20)24-4/h8,10-13,15H,5-7,9,14H2,1-4H3/b13-12+
InChIKey SVCXTDDDLHQROL-OUKQBFOZSA-N
Mol Weight 364.44 g/mol
Molecular Formula C20H28O6
Exact Mass 364.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F1t6xdATd3a
Name Fumaric acid, 2,6-dimethoxyphenyl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 364.188588616 u
Formula C20H28O6
InChI InChI=1S/C20H28O6/c1-5-7-9-15(6-2)14-25-18(21)12-13-19(22)26-20-16(23-3)10-8-11-17(20)24-4/h8,10-13,15H,5-7,9,14H2,1-4H3/b13-12+
InChIKey SVCXTDDDLHQROL-OUKQBFOZSA-N
Molecular Weight 364.438 g/mol
SMILES C(\C=C\C(OCC(CC)CCCC)=O)(OC1=C(C=CC=C1OC)OC)=O