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

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Fumaric acid, 2,4-dichlorophenyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID 1lZtVMMygFU
InChI InChI=1S/C16H7Cl5O4/c17-8-1-2-13(10(19)5-8)24-14(22)3-4-15(23)25-16-11(20)6-9(18)7-12(16)21/h1-7H/b4-3+
InChIKey LMDUOJOQINADIB-ONEGZZNKSA-N
Mol Weight 440.5 g/mol
Molecular Formula C16H7Cl5O4
Exact Mass 437.878697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Vt1CwO56Lr
Name Fumaric acid, 2,4-dichlorophenyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 437.878697201 u
Formula C16H7Cl5O4
InChI InChI=1S/C16H7Cl5O4/c17-8-1-2-13(10(19)5-8)24-14(22)3-4-15(23)25-16-11(20)6-9(18)7-12(16)21/h1-7H/b4-3+
InChIKey LMDUOJOQINADIB-ONEGZZNKSA-N
Molecular Weight 440.493 g/mol
SMILES C(\C=C\C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)(OC1=C(C=C(C=C1)Cl)Cl)=O