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Phthalic acid, 3,4-dichlorophenyl 3-methylphenyl ester

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Phthalic acid, 3,4-dichlorophenyl 3-methylphenyl ester
SpectraBase Compound ID A56i5Y3UDy0
InChI InChI=1S/C21H14Cl2O4/c1-13-5-4-6-14(11-13)26-20(24)16-7-2-3-8-17(16)21(25)27-15-9-10-18(22)19(23)12-15/h2-12H,1H3
InChIKey DNOCUUJHNKLIKS-UHFFFAOYSA-N
Mol Weight 401.25 g/mol
Molecular Formula C21H14Cl2O4
Exact Mass 400.026914 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3moCIxjvBPe
Name Phthalic acid, 3,4-dichlorophenyl 3-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.026914327 u
Formula C21H14Cl2O4
InChI InChI=1S/C21H14Cl2O4/c1-13-5-4-6-14(11-13)26-20(24)16-7-2-3-8-17(16)21(25)27-15-9-10-18(22)19(23)12-15/h2-12H,1H3
InChIKey DNOCUUJHNKLIKS-UHFFFAOYSA-N
Molecular Weight 401.245 g/mol
SMILES C1=CC=C(C(=C1)C(OC1=CC(C)=CC=C1)=O)C(OC1=CC=C(C(=C1)Cl)Cl)=O