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

View entire compound with spectra: 1 NMR

Fumaric acid, 2-phenethyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID A7N0HlGdpnl
InChI InChI=1S/C18H13Cl3O4/c19-13-10-14(20)18(15(21)11-13)25-17(23)7-6-16(22)24-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2/b7-6+
InChIKey KEKSIWZMPRYBRX-VOTSOKGWSA-N
Mol Weight 399.66 g/mol
Molecular Formula C18H13Cl3O4
Exact Mass 397.987942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID De2ntJcGKuf
Name Fumaric acid, 2-phenethyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 397.987941995 u
Formula C18H13Cl3O4
InChI InChI=1S/C18H13Cl3O4/c19-13-10-14(20)18(15(21)11-13)25-17(23)7-6-16(22)24-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2/b7-6+
InChIKey KEKSIWZMPRYBRX-VOTSOKGWSA-N
Molecular Weight 399.657 g/mol
SMILES C(\C=C\C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)(OCCC1=CC=CC=C1)=O