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4-quinolinecarboxamide, N-[4-(4-chlorophenoxy)phenyl]-6-methyl-2-phenyl-
SpectraBase Compound ID Bij71zuLxiY
InChI InChI=1S/C29H21ClN2O2/c1-19-7-16-27-25(17-19)26(18-28(32-27)20-5-3-2-4-6-20)29(33)31-22-10-14-24(15-11-22)34-23-12-8-21(30)9-13-23/h2-18H,1H3,(H,31,33)
InChIKey SQEXTMJMTXABAN-UHFFFAOYSA-N
Mol Weight 464.95 g/mol
Molecular Formula C29H21ClN2O2
Exact Mass 464.129156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DRWDwKTKm3N
Name 4-Quinolinecarboxamide, N-[4-(4-chlorophenoxy)phenyl]-6-methyl-2-phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 464.129155622 u
Formula C29H21ClN2O2
InChI InChI=1S/C29H21ClN2O2/c1-19-7-16-27-25(17-19)26(18-28(32-27)20-5-3-2-4-6-20)29(33)31-22-10-14-24(15-11-22)34-23-12-8-21(30)9-13-23/h2-18H,1H3,(H,31,33)
InChIKey SQEXTMJMTXABAN-UHFFFAOYSA-N
Molecular Weight 464.952 g/mol
SMILES N(C(C1=C2C(C=CC(=C2)C)=NC(=C1)C1=CC=CC=C1)=O)C=1C=CC(OC2=CC=C(C=C2)Cl)=CC1