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Phthalic acid, 4-chlorophenyl 3,4-dimethylphenyl ester

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Phthalic acid, 4-chlorophenyl 3,4-dimethylphenyl ester
SpectraBase Compound ID 4ELB5hEpSMO
InChI InChI=1S/C22H17ClO4/c1-14-7-10-18(13-15(14)2)27-22(25)20-6-4-3-5-19(20)21(24)26-17-11-8-16(23)9-12-17/h3-13H,1-2H3
InChIKey VNAPJRQRMLLHHZ-UHFFFAOYSA-N
Mol Weight 380.83 g/mol
Molecular Formula C22H17ClO4
Exact Mass 380.081537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gc3judbcKdF
Name Phthalic acid, 4-chlorophenyl 3,4-dimethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.081536723 u
Formula C22H17ClO4
InChI InChI=1S/C22H17ClO4/c1-14-7-10-18(13-15(14)2)27-22(25)20-6-4-3-5-19(20)21(24)26-17-11-8-16(23)9-12-17/h3-13H,1-2H3
InChIKey VNAPJRQRMLLHHZ-UHFFFAOYSA-N
Molecular Weight 380.827 g/mol
SMILES C1=CC=CC(=C1C(OC1=CC=C(C=C1)Cl)=O)C(OC1=CC(=C(C=C1)C)C)=O