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N-(3-acetylphenyl)-2-(2-chlorophenyl)-4-quinolinecarboxamide
SpectraBase Compound ID pqwQOBkHV3
InChI InChI=1S/C24H17ClN2O2/c1-15(28)16-7-6-8-17(13-16)26-24(29)20-14-23(19-10-2-4-11-21(19)25)27-22-12-5-3-9-18(20)22/h2-14H,1H3,(H,26,29)
InChIKey LBORYVNCBSOWIF-UHFFFAOYSA-N
Mol Weight 400.87 g/mol
Molecular Formula C24H17ClN2O2
Exact Mass 400.097855 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HKa4MScwrd5
Name N-(3-Acetylphenyl)-2-(2-chlorophenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 400.097855493 u
Formula C24H17ClN2O2
InChI InChI=1S/C24H17ClN2O2/c1-15(28)16-7-6-8-17(13-16)26-24(29)20-14-23(19-10-2-4-11-21(19)25)27-22-12-5-3-9-18(20)22/h2-14H,1H3,(H,26,29)
InChIKey LBORYVNCBSOWIF-UHFFFAOYSA-N
Molecular Weight 400.865 g/mol
SMILES N(C(C=1C=C(N=C2C=CC=CC12)C1=C(Cl)C=CC=C1)=O)C1=CC(C(=O)C)=CC=C1