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N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID LChLX5fHADb
InChI InChI=1S/C24H18ClFN2O3/c1-30-22-10-7-14(11-23(22)31-2)21-13-17(16-5-3-4-6-20(16)28-21)24(29)27-15-8-9-19(26)18(25)12-15/h3-13H,1-2H3,(H,27,29)
InChIKey NUHQCVNXLLZOFW-UHFFFAOYSA-N
Mol Weight 436.87 g/mol
Molecular Formula C24H18ClFN2O3
Exact Mass 436.098998 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KYTBTJOLzqs
Name N-(3-Chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 436.098998308 u
Formula C24H18ClFN2O3
InChI InChI=1S/C24H18ClFN2O3/c1-30-22-10-7-14(11-23(22)31-2)21-13-17(16-5-3-4-6-20(16)28-21)24(29)27-15-8-9-19(26)18(25)12-15/h3-13H,1-2H3,(H,27,29)
InChIKey NUHQCVNXLLZOFW-UHFFFAOYSA-N
Molecular Weight 436.870 g/mol
SMILES N(C(C=1C=C(C2=CC(OC)=C(C=C2)OC)N=C2C1C=CC=C2)=O)C=1C=C(Cl)C(=CC1)F