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2-Methyl-3-({(E)-[4-(naphthalen-2-yloxy)phenyl]methylidene}amino)quinazolin-4(3H)-one
SpectraBase Compound ID BJfGAzTpsQ5
InChI InChI=1S/C26H19N3O2/c1-18-28-25-9-5-4-8-24(25)26(30)29(18)27-17-19-10-13-22(14-11-19)31-23-15-12-20-6-2-3-7-21(20)16-23/h2-17H,1H3/b27-17+
InChIKey KXAXYQNIIQMRCR-WPWMEQJKSA-N
Mol Weight 405.46 g/mol
Molecular Formula C26H19N3O2
Exact Mass 405.147727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BEnaTzOhBmh
Name 2-Methyl-3-({(E)-[4-(naphthalen-2-yloxy)phenyl]methylidene}amino)quinazolin-4(3H)-one
Comments Computed using HOSE algorithm
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Exact Mass 405.147726862 u
Formula C26H19N3O2
InChI InChI=1S/C26H19N3O2/c1-18-28-25-9-5-4-8-24(25)26(30)29(18)27-17-19-10-13-22(14-11-19)31-23-15-12-20-6-2-3-7-21(20)16-23/h2-17H,1H3/b27-17+
InChIKey KXAXYQNIIQMRCR-WPWMEQJKSA-N
Molecular Weight 405.457 g/mol
SMILES C1(N(C(=NC2=C1C=CC=C2)C)\N=C\C=1C=CC(OC=2C=C3C=CC=CC3=CC2)=CC1)=O