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N-(2-bromophenyl)-2-(4-tert-butylphenyl)-4-quinolinecarboxamide

View entire compound with spectra: 2 NMR

N-(2-bromophenyl)-2-(4-tert-butylphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID 1PHyrX9e2pl
InChI InChI=1S/C26H23BrN2O/c1-26(2,3)18-14-12-17(13-15-18)24-16-20(19-8-4-6-10-22(19)28-24)25(30)29-23-11-7-5-9-21(23)27/h4-16H,1-3H3,(H,29,30)
InChIKey YFGAHINBFJNQFH-UHFFFAOYSA-N
Mol Weight 459.39 g/mol
Molecular Formula C26H23BrN2O
Exact Mass 458.099376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9uOfTB6HjeN
Name N-(2-Bromophenyl)-2-(4-tert-butylphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 458.099376368 u
Formula C26H23BrN2O
InChI InChI=1S/C26H23BrN2O/c1-26(2,3)18-14-12-17(13-15-18)24-16-20(19-8-4-6-10-22(19)28-24)25(30)29-23-11-7-5-9-21(23)27/h4-16H,1-3H3,(H,29,30)
InChIKey YFGAHINBFJNQFH-UHFFFAOYSA-N
Molecular Weight 459.387 g/mol
SMILES N(C=1C(Br)=CC=CC1)C(C1=CC(C2=CC=C(C(C)(C)C)C=C2)=NC=2C1=CC=CC2)=O