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N-(2,4-dimethoxyphenyl)-2-(3-methylphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID 5bMuqdobTaV
InChI InChI=1S/C25H22N2O3/c1-16-7-6-8-17(13-16)23-15-20(19-9-4-5-10-21(19)26-23)25(28)27-22-12-11-18(29-2)14-24(22)30-3/h4-15H,1-3H3,(H,27,28)
InChIKey KOIHKZCDFTYXDR-UHFFFAOYSA-N
Mol Weight 398.46 g/mol
Molecular Formula C25H22N2O3
Exact Mass 398.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDIt5d5A2wI
Name N-(2,4-Dimethoxyphenyl)-2-(3-methylphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 398.163042573 u
Formula C25H22N2O3
InChI InChI=1S/C25H22N2O3/c1-16-7-6-8-17(13-16)23-15-20(19-9-4-5-10-21(19)26-23)25(28)27-22-12-11-18(29-2)14-24(22)30-3/h4-15H,1-3H3,(H,27,28)
InChIKey KOIHKZCDFTYXDR-UHFFFAOYSA-N
Molecular Weight 398.462 g/mol
SMILES N(C(C=1C=C(C2=CC(C)=CC=C2)N=C2C1C=CC=C2)=O)C=1C(=CC(=CC1)OC)OC