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Phthalic acid, 3,4-dichlorophenyl 3,5-dimethylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,4-dichlorophenyl 3,5-dimethylphenyl ester
SpectraBase Compound ID DoaRMCVmeK0
InChI InChI=1S/C22H16Cl2O4/c1-13-9-14(2)11-16(10-13)28-22(26)18-6-4-3-5-17(18)21(25)27-15-7-8-19(23)20(24)12-15/h3-12H,1-2H3
InChIKey FGIGIVBXULRLAL-UHFFFAOYSA-N
Mol Weight 415.27 g/mol
Molecular Formula C22H16Cl2O4
Exact Mass 414.042564 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3YWg0fGuLcO
Name Phthalic acid, 3,4-dichlorophenyl 3,5-dimethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 414.042564391 u
Formula C22H16Cl2O4
InChI InChI=1S/C22H16Cl2O4/c1-13-9-14(2)11-16(10-13)28-22(26)18-6-4-3-5-17(18)21(25)27-15-7-8-19(23)20(24)12-15/h3-12H,1-2H3
InChIKey FGIGIVBXULRLAL-UHFFFAOYSA-N
Molecular Weight 415.272 g/mol
SMILES C1=CC=C(C(=C1)C(OC1=CC(C)=CC(C)=C1)=O)C(OC1=CC=C(C(=C1)Cl)Cl)=O