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Fumaric acid, 3,5-dimethylphenyl 2,4,6-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 3,5-dimethylphenyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID HQSDD1dIa9i
InChI InChI=1S/C18H13Cl3O4/c1-10-5-11(2)7-13(6-10)24-16(22)3-4-17(23)25-18-14(20)8-12(19)9-15(18)21/h3-9H,1-2H3/b4-3+
InChIKey ATRFQQXXYJAUSH-ONEGZZNKSA-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 4QBxq7nJy3T
Name Fumaric acid, 3,5-dimethylphenyl 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/c1-10-5-11(2)7-13(6-10)24-16(22)3-4-17(23)25-18-14(20)8-12(19)9-15(18)21/h3-9H,1-2H3/b4-3+
InChIKey ATRFQQXXYJAUSH-ONEGZZNKSA-N
Molecular Weight 399.657 g/mol
SMILES C(\C=C\C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)(OC1=CC(=CC(=C1)C)C)=O