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Fumaric acid, nonyl 2,4,6-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, nonyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID 84oGwyKVFj6
InChI InChI=1S/C19H23Cl3O4/c1-2-3-4-5-6-7-8-11-25-17(23)9-10-18(24)26-19-15(21)12-14(20)13-16(19)22/h9-10,12-13H,2-8,11H2,1H3/b10-9+
InChIKey IKTKSBWABKVBNL-MDZDMXLPSA-N
Mol Weight 421.75 g/mol
Molecular Formula C19H23Cl3O4
Exact Mass 420.066192 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1q6VVUKDzr7
Name Fumaric acid, nonyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.066192317 u
Formula C19H23Cl3O4
InChI InChI=1S/C19H23Cl3O4/c1-2-3-4-5-6-7-8-11-25-17(23)9-10-18(24)26-19-15(21)12-14(20)13-16(19)22/h9-10,12-13H,2-8,11H2,1H3/b10-9+
InChIKey IKTKSBWABKVBNL-MDZDMXLPSA-N
Molecular Weight 421.748 g/mol
SMILES C(\C=C\C(OCCCCCCCCC)=O)(OC1=C(C=C(C=C1Cl)Cl)Cl)=O