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2(1H)-Quinoxalinone, 3-[5-bromo-2-[(phenylmethyl)amino]phenyl]-1-(phenylmethyl)-
SpectraBase Compound ID GorlouC0S1a
InChI InChI=1S/C28H22BrN3O/c29-22-15-16-24(30-18-20-9-3-1-4-10-20)23(17-22)27-28(33)32(19-21-11-5-2-6-12-21)26-14-8-7-13-25(26)31-27/h1-17,30H,18-19H2
InChIKey AGHWPMLQWFRCIX-UHFFFAOYSA-N
Mol Weight 496.41 g/mol
Molecular Formula C28H22BrN3O
Exact Mass 495.094625 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHK6dHmZiLZ
Name 2(1H)-Quinoxalinone, 3-[5-bromo-2-[(phenylmethyl)amino]phenyl]-1-(phenylmethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 495.094625339 u
Formula C28H22BrN3O
InChI InChI=1S/C28H22BrN3O/c29-22-15-16-24(30-18-20-9-3-1-4-10-20)23(17-22)27-28(33)32(19-21-11-5-2-6-12-21)26-14-8-7-13-25(26)31-27/h1-17,30H,18-19H2
InChIKey AGHWPMLQWFRCIX-UHFFFAOYSA-N
Molecular Weight 496.408 g/mol
SMILES C=1(C(N(CC=2C=CC=CC2)C2=C(N1)C=CC=C2)=O)C1=C(NCC=2C=CC=CC2)C=CC(=C1)Br