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2-[(E)-2-(4-bromophenyl)ethenyl]-3-(1-naphthyl)-4(3H)-quinazolinone
SpectraBase Compound ID KXus0jpoyXx
InChI InChI=1S/C26H17BrN2O/c27-20-15-12-18(13-16-20)14-17-25-28-23-10-4-3-9-22(23)26(30)29(25)24-11-5-7-19-6-1-2-8-21(19)24/h1-17H/b17-14+
InChIKey SCJLYWBHTQVTBP-SAPNQHFASA-N
Mol Weight 453.34 g/mol
Molecular Formula C26H17BrN2O
Exact Mass 452.052426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMQ6rFFq8Xk
Name 2-[(E)-2-(4-Bromophenyl)ethenyl]-3-(1-naphthyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 452.052426174 u
Formula C26H17BrN2O
InChI InChI=1S/C26H17BrN2O/c27-20-15-12-18(13-16-20)14-17-25-28-23-10-4-3-9-22(23)26(30)29(25)24-11-5-7-19-6-1-2-8-21(19)24/h1-17H/b17-14+
InChIKey SCJLYWBHTQVTBP-SAPNQHFASA-N
Molecular Weight 453.339 g/mol
SMILES C=1C=CC2=C(N3C(C=4C=CC=CC4N=C3\C=C\C=3C=CC(=CC3)Br)=O)C=CC=C2C1