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2-(4-bromophenyl)-N-(4-pyridinyl)-4-quinolinecarboxamide
SpectraBase Compound ID cekoeBm0zY
InChI InChI=1S/C21H14BrN3O/c22-15-7-5-14(6-8-15)20-13-18(17-3-1-2-4-19(17)25-20)21(26)24-16-9-11-23-12-10-16/h1-13H,(H,23,24,26)
InChIKey SHWHYTVYXQOEMT-UHFFFAOYSA-N
Mol Weight 404.27 g/mol
Molecular Formula C21H14BrN3O
Exact Mass 403.032025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqDoSV8fORZ
Name 2-(4-Bromophenyl)-N-(4-pyridinyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 403.032025082 u
Formula C21H14BrN3O
InChI InChI=1S/C21H14BrN3O/c22-15-7-5-14(6-8-15)20-13-18(17-3-1-2-4-19(17)25-20)21(26)24-16-9-11-23-12-10-16/h1-13H,(H,23,24,26)
InChIKey SHWHYTVYXQOEMT-UHFFFAOYSA-N
Molecular Weight 404.267 g/mol
SMILES N(C(C=1C=C(C2=CC=C(C=C2)Br)N=C2C1C=CC=C2)=O)C=1C=CN=CC1