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

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Fumaric acid, 2-methylphenyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID IuM6eirUtl8
InChI InChI=1S/C17H11Cl3O4/c1-10-4-2-3-5-14(10)23-15(21)6-7-16(22)24-17-12(19)8-11(18)9-13(17)20/h2-9H,1H3/b7-6+
InChIKey BNXQODRHCKXXSC-VOTSOKGWSA-N
Mol Weight 385.63 g/mol
Molecular Formula C17H11Cl3O4
Exact Mass 383.972292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5LEFLE0hJkE
Name Fumaric acid, 2-methylphenyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 383.972291930 u
Formula C17H11Cl3O4
InChI InChI=1S/C17H11Cl3O4/c1-10-4-2-3-5-14(10)23-15(21)6-7-16(22)24-17-12(19)8-11(18)9-13(17)20/h2-9H,1H3/b7-6+
InChIKey BNXQODRHCKXXSC-VOTSOKGWSA-N
Molecular Weight 385.630 g/mol
SMILES C(\C=C\C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)(OC=1C(C)=CC=CC1)=O