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4'-Bromo-3-methyl-N-(quinolin-8-yl)-[1,1'-biphenyl]-2-carboxamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4'-Bromo-3-methyl-N-(quinolin-8-yl)-[1,1'-biphenyl]-2-carboxamide
SpectraBase Compound ID 5fRPlgI993f
InChI InChI=1S/C23H17BrN2O/c1-15-5-2-8-19(16-10-12-18(24)13-11-16)21(15)23(27)26-20-9-3-6-17-7-4-14-25-22(17)20/h2-14H,1H3,(H,26,27)
InChIKey GXPXPDJTXUYGNO-UHFFFAOYSA-N
Mol Weight 417.31 g/mol
Molecular Formula C23H17BrN2O
Exact Mass 416.052426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zlYWUwRDnr
Name 4'-Bromo-3-methyl-N-(quinolin-8-yl)-[1,1'-biphenyl]-2-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.052426174 u
Formula C23H17BrN2O
InChI InChI=1S/C23H17BrN2O/c1-15-5-2-8-19(16-10-12-18(24)13-11-16)21(15)23(27)26-20-9-3-6-17-7-4-14-25-22(17)20/h2-14H,1H3,(H,26,27)
InChIKey GXPXPDJTXUYGNO-UHFFFAOYSA-N
Molecular Weight 417.306 g/mol
SMILES C=1(C(=C(C=CC1)C)C(=O)NC=1C=CC=C2C=CC=NC12)C=1C=CC(=CC1)Br