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Phthalic acid, 3-chlorophenyl 3-methylphenyl ester

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Phthalic acid, 3-chlorophenyl 3-methylphenyl ester
SpectraBase Compound ID 9nDuXEXvVVF
InChI InChI=1S/C21H15ClO4/c1-14-6-4-8-16(12-14)25-20(23)18-10-2-3-11-19(18)21(24)26-17-9-5-7-15(22)13-17/h2-13H,1H3
InChIKey WBAGHZCXRRBXDW-UHFFFAOYSA-N
Mol Weight 366.8 g/mol
Molecular Formula C21H15ClO4
Exact Mass 366.065887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ZZ0oQD8wzt
Name Phthalic acid, 3-chlorophenyl 3-methylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.065886659 u
Formula C21H15ClO4
InChI InChI=1S/C21H15ClO4/c1-14-6-4-8-16(12-14)25-20(23)18-10-2-3-11-19(18)21(24)26-17-9-5-7-15(22)13-17/h2-13H,1H3
InChIKey WBAGHZCXRRBXDW-UHFFFAOYSA-N
Molecular Weight 366.800 g/mol
SMILES C1=CC=C(C(=C1)C(OC1=CC=CC(=C1)Cl)=O)C(OC1=CC(C)=CC=C1)=O