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2-(4-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-4-quinolinecarboxamide
SpectraBase Compound ID A3uaoCGVJsP
InChI InChI=1S/C25H16BrN3OS/c26-18-12-10-17(11-13-18)22-14-20(19-8-4-5-9-21(19)27-22)24(30)29-25-28-23(15-31-25)16-6-2-1-3-7-16/h1-15H,(H,28,29,30)
InChIKey OIIDAFVVRSEIBV-UHFFFAOYSA-N
Mol Weight 486.39 g/mol
Molecular Formula C25H16BrN3OS
Exact Mass 485.019746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49oKwsLxyGj
Name 2-(4-Bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 485.019746320 u
Formula C25H16BrN3OS
InChI InChI=1S/C25H16BrN3OS/c26-18-12-10-17(11-13-18)22-14-20(19-8-4-5-9-21(19)27-22)24(30)29-25-28-23(15-31-25)16-6-2-1-3-7-16/h1-15H,(H,28,29,30)
InChIKey OIIDAFVVRSEIBV-UHFFFAOYSA-N
Molecular Weight 486.387 g/mol
SMILES N(C(C=1C=C(C2=CC=C(Br)C=C2)N=C2C1C=CC=C2)=O)C1=NC(C2=CC=CC=C2)=CS1