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4-({[(6-bromo-2-phenyl-4-quinolinyl)carbonyl]amino}methyl)benzoic acid

View entire compound with spectra: 2 NMR

4-({[(6-bromo-2-phenyl-4-quinolinyl)carbonyl]amino}methyl)benzoic acid
SpectraBase Compound ID 4LdSsvH9K8O
InChI InChI=1S/C24H17BrN2O3/c25-18-10-11-21-19(12-18)20(13-22(27-21)16-4-2-1-3-5-16)23(28)26-14-15-6-8-17(9-7-15)24(29)30/h1-13H,14H2,(H,26,28)(H,29,30)
InChIKey DKQCRKODTOGKEL-UHFFFAOYSA-N
Mol Weight 461.32 g/mol
Molecular Formula C24H17BrN2O3
Exact Mass 460.042255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AAJe1NanxbT
Name 4-({[(6-bromo-2-phenyl-4-quinolinyl)carbonyl]amino}methyl)benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.042255412 u
Formula C24H17BrN2O3
InChI InChI=1S/C24H17BrN2O3/c25-18-10-11-21-19(12-18)20(13-22(27-21)16-4-2-1-3-5-16)23(28)26-14-15-6-8-17(9-7-15)24(29)30/h1-13H,14H2,(H,26,28)(H,29,30)
InChIKey DKQCRKODTOGKEL-UHFFFAOYSA-N
Molecular Weight 461.315 g/mol
SMILES N(CC1=CC=C(C(=O)O)C=C1)C(C=1C=2C(=CC=C(C2)Br)N=C(C1)C1=CC=CC=C1)=O