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2-Chloro-4-[(2-chlorobenzoyl)oxy]phenyl 2-chlorobenzoate
SpectraBase Compound ID 47n5wACissv
InChI InChI=1S/C20H11Cl3O4/c21-15-7-3-1-5-13(15)19(24)26-12-9-10-18(17(23)11-12)27-20(25)14-6-2-4-8-16(14)22/h1-11H
InChIKey QZBYPWHTCLBTPU-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 EhSybSQwGg2
Name Benzoic acid, 2-chloro-, [2-chloro-4-(2-chlorobenzoyloxy)phenyl] ester
Comments Computed using HOSE algorithm
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Exact Mass 419.972291930 u
Formula C20H11Cl3O4
InChI InChI=1S/C20H11Cl3O4/c21-15-7-3-1-5-13(15)19(24)26-12-9-10-18(17(23)11-12)27-20(25)14-6-2-4-8-16(14)22/h1-11H
InChIKey QZBYPWHTCLBTPU-UHFFFAOYSA-N
Molecular Weight 421.663 g/mol
SMILES C(C1=C(Cl)C=CC=C1)(OC1=C(C=C(OC(C2=C(Cl)C=CC=C2)=O)C=C1)Cl)=O