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Phthalic acid, 2-chlorophenyl 3,4-dichlorophenyl ester
SpectraBase Compound ID Ly9lPR7HQRT
InChI InChI=1S/C20H11Cl3O4/c21-15-10-9-12(11-17(15)23)26-19(24)13-5-1-2-6-14(13)20(25)27-18-8-4-3-7-16(18)22/h1-11H
InChIKey OBNLIYKIIAQNRJ-UHFFFAOYSA-N
Mol Weight 421.66 g/mol
Molecular Formula C20H11Cl3O4
Exact Mass 419.972292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DDdVoXWuENZ
Name Phthalic acid, 2-chlorophenyl 3,4-dichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 419.972291930 u
Formula C20H11Cl3O4
InChI InChI=1S/C20H11Cl3O4/c21-15-10-9-12(11-17(15)23)26-19(24)13-5-1-2-6-14(13)20(25)27-18-8-4-3-7-16(18)22/h1-11H
InChIKey OBNLIYKIIAQNRJ-UHFFFAOYSA-N
Molecular Weight 421.663 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC(=C(C=C1)Cl)Cl)=O)C(OC1=CC=CC=C1Cl)=O