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o-Benzoylbenzoic acid, ester with 4'-chloro-2-hydroxyacetophenone
SpectraBase Compound ID UTShwJyize
InChI InChI=1S/C22H15ClO4/c23-17-12-10-15(11-13-17)20(24)14-27-22(26)19-9-5-4-8-18(19)21(25)16-6-2-1-3-7-16/h1-13H,14H2
InChIKey RDYKRGOYXBSXHR-UHFFFAOYSA-N
Mol Weight 378.81 g/mol
Molecular Formula C22H15ClO4
Exact Mass 378.065887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BYtkGtiEgvi
Name o-Benzoylbenzoic acid, ester with 4'-chloro-2-hydroxyacetophenone
Comments Computed using HOSE algorithm
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Exact Mass 378.065886659 u
Formula C22H15ClO4
InChI InChI=1S/C22H15ClO4/c23-17-12-10-15(11-13-17)20(24)14-27-22(26)19-9-5-4-8-18(19)21(25)16-6-2-1-3-7-16/h1-13H,14H2
InChIKey RDYKRGOYXBSXHR-UHFFFAOYSA-N
Molecular Weight 378.811 g/mol
SMILES C1=C(C(=CC=C1)C(OCC(C=1C=CC(=CC1)Cl)=O)=O)C(=O)C1=CC=CC=C1