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2-[2-(3-bromo-phenyl)-vinyl]-3-(3-methoxy-phenyl)-3H-quinazolin-4-one
SpectraBase Compound ID G55hzU7KFn1
InChI InChI=1S/C23H17BrN2O2/c1-28-19-9-5-8-18(15-19)26-22(13-12-16-6-4-7-17(24)14-16)25-21-11-3-2-10-20(21)23(26)27/h2-15H,1H3/b13-12+
InChIKey VTWBYNDRSXMYSU-OUKQBFOZSA-N
Mol Weight 433.31 g/mol
Molecular Formula C23H17BrN2O2
Exact Mass 432.047341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AYK3BuFKjqo
Name 2-[2-(3-Bromo-phenyl)-vinyl]-3-(3-methoxy-phenyl)-3H-quinazolin-4-one
Comments Computed using HOSE algorithm
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Exact Mass 432.047340793 u
Formula C23H17BrN2O2
InChI InChI=1S/C23H17BrN2O2/c1-28-19-9-5-8-18(15-19)26-22(13-12-16-6-4-7-17(24)14-16)25-21-11-3-2-10-20(21)23(26)27/h2-15H,1H3/b13-12+
InChIKey VTWBYNDRSXMYSU-OUKQBFOZSA-N
Molecular Weight 433.305 g/mol
SMILES C12=C(C=CC=C2)N=C(N(C1=O)C1=CC=CC(=C1)OC)\C=C\C1=CC=CC(=C1)Br