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Fumaric acid, 2,5-dichlorophenyl dec-2-yl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2,5-dichlorophenyl dec-2-yl ester
SpectraBase Compound ID F3YMEhQvXps
InChI InChI=1S/C20H26Cl2O4/c1-3-4-5-6-7-8-9-15(2)25-19(23)12-13-20(24)26-18-14-16(21)10-11-17(18)22/h10-15H,3-9H2,1-2H3/b13-12+
InChIKey UNIWKHSLIJBAAZ-OUKQBFOZSA-N
Mol Weight 401.33 g/mol
Molecular Formula C20H26Cl2O4
Exact Mass 400.120815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 596tec5BQQB
Name Fumaric acid, 2,5-dichlorophenyl dec-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.120814713 u
Formula C20H26Cl2O4
InChI InChI=1S/C20H26Cl2O4/c1-3-4-5-6-7-8-9-15(2)25-19(23)12-13-20(24)26-18-14-16(21)10-11-17(18)22/h10-15H,3-9H2,1-2H3/b13-12+
InChIKey UNIWKHSLIJBAAZ-OUKQBFOZSA-N
Molecular Weight 401.330 g/mol
SMILES C(\C=C\C(OC(C)CCCCCCCC)=O)(OC1=C(C=CC(=C1)Cl)Cl)=O