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

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Fumaric acid, 4-chlorobenzyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID 8HTAGY8fHMH
InChI InChI=1S/C17H10Cl4O4/c18-11-3-1-10(2-4-11)9-24-15(22)5-6-16(23)25-17-13(20)7-12(19)8-14(17)21/h1-8H,9H2/b6-5+
InChIKey DFLILAMCVZWJHV-AATRIKPKSA-N
Mol Weight 420.1 g/mol
Molecular Formula C17H10Cl4O4
Exact Mass 417.93332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KOp5xUagZ40
Name Fumaric acid, 4-chlorobenzyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 417.933319598 u
Formula C17H10Cl4O4
InChI InChI=1S/C17H10Cl4O4/c18-11-3-1-10(2-4-11)9-24-15(22)5-6-16(23)25-17-13(20)7-12(19)8-14(17)21/h1-8H,9H2/b6-5+
InChIKey DFLILAMCVZWJHV-AATRIKPKSA-N
Molecular Weight 420.075 g/mol
SMILES C(\C=C\C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)(OCC1=CC=C(C=C1)Cl)=O