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3-(4-bromophenyl)-2-[(E)-2-(2-pyridinyl)ethenyl]-4(3H)-quinazolinone
SpectraBase Compound ID BV7YNODFMjc
InChI InChI=1S/C21H14BrN3O/c22-15-8-11-17(12-9-15)25-20(13-10-16-5-3-4-14-23-16)24-19-7-2-1-6-18(19)21(25)26/h1-14H/b13-10+
InChIKey NOCHARYECOZHIM-JLHYYAGUSA-N
Mol Weight 404.27 g/mol
Molecular Formula C21H14BrN3O
Exact Mass 403.032025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GntwBZCF5Hy
Name 3-(4-Bromophenyl)-2-[(E)-2-(2-pyridinyl)ethenyl]-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.032025082 u
Formula C21H14BrN3O
InChI InChI=1S/C21H14BrN3O/c22-15-8-11-17(12-9-15)25-20(13-10-16-5-3-4-14-23-16)24-19-7-2-1-6-18(19)21(25)26/h1-14H/b13-10+
InChIKey NOCHARYECOZHIM-JLHYYAGUSA-N
Molecular Weight 404.267 g/mol
SMILES C=1C=CN=C(\C=C\C=2N(C(C=3C=CC=CC3N2)=O)C=2C=CC(=CC2)Br)C1