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

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Phthalic acid, 4-chlorophenyl 3,5-dimethylphenyl ester
SpectraBase Compound ID LFU53b7alCu
InChI InChI=1S/C22H17ClO4/c1-14-11-15(2)13-18(12-14)27-22(25)20-6-4-3-5-19(20)21(24)26-17-9-7-16(23)8-10-17/h3-13H,1-2H3
InChIKey CEWDIZCLFKPFIX-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 E8tUMpRHct4
Name Phthalic acid, 4-chlorophenyl 3,5-dimethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.081536723 u
Formula C22H17ClO4
InChI InChI=1S/C22H17ClO4/c1-14-11-15(2)13-18(12-14)27-22(25)20-6-4-3-5-19(20)21(24)26-17-9-7-16(23)8-10-17/h3-13H,1-2H3
InChIKey CEWDIZCLFKPFIX-UHFFFAOYSA-N
Molecular Weight 380.827 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC=C(C=C1)Cl)=O)C(OC1=CC(=CC(=C1)C)C)=O