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Diethylmalonic acid, di(3,5-dichlorophenyl) ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, di(3,5-dichlorophenyl) ester
SpectraBase Compound ID GcYzqheS7l6
InChI InChI=1S/C19H16Cl4O4/c1-3-19(4-2,17(24)26-15-7-11(20)5-12(21)8-15)18(25)27-16-9-13(22)6-14(23)10-16/h5-10H,3-4H2,1-2H3
InChIKey QJPGIBMWBHIFMT-UHFFFAOYSA-N
Mol Weight 450.1 g/mol
Molecular Formula C19H16Cl4O4
Exact Mass 447.98027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GKGHRhKqHiM
Name Diethylmalonic acid, di(3,5-dichlorophenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 447.980269791 u
Formula C19H16Cl4O4
InChI InChI=1S/C19H16Cl4O4/c1-3-19(4-2,17(24)26-15-7-11(20)5-12(21)8-15)18(25)27-16-9-13(22)6-14(23)10-16/h5-10H,3-4H2,1-2H3
InChIKey QJPGIBMWBHIFMT-UHFFFAOYSA-N
Molecular Weight 450.145 g/mol
SMILES CCC(C(OC1=CC(=CC(=C1)Cl)Cl)=O)(C(OC1=CC(=CC(=C1)Cl)Cl)=O)CC