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Fumaric acid, nonyl 2,3,4,6-tetrachlorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, nonyl 2,3,4,6-tetrachlorophenyl ester
SpectraBase Compound ID 285z7JD4u92
InChI InChI=1S/C19H22Cl4O4/c1-2-3-4-5-6-7-8-11-26-15(24)9-10-16(25)27-19-14(21)12-13(20)17(22)18(19)23/h9-10,12H,2-8,11H2,1H3/b10-9+
InChIKey HXFNNNWNGSGHRR-MDZDMXLPSA-N
Mol Weight 456.2 g/mol
Molecular Formula C19H22Cl4O4
Exact Mass 454.02722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CrD8EJ5BYHg
Name Fumaric acid, nonyl 2,3,4,6-tetrachlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.027219984 u
Formula C19H22Cl4O4
InChI InChI=1S/C19H22Cl4O4/c1-2-3-4-5-6-7-8-11-26-15(24)9-10-16(25)27-19-14(21)12-13(20)17(22)18(19)23/h9-10,12H,2-8,11H2,1H3/b10-9+
InChIKey HXFNNNWNGSGHRR-MDZDMXLPSA-N
Molecular Weight 456.193 g/mol
SMILES C1(=CC(Cl)=C(OC(\C=C\C(OCCCCCCCCC)=O)=O)C(=C1Cl)Cl)Cl