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3-({(E)-[3-(naphthalen-2-yloxy)phenyl]methylidene}amino)-2-phenylquinazolin-4(3H)-one
SpectraBase Compound ID 1HSH6US8L84
InChI InChI=1S/C31H21N3O2/c35-31-28-15-6-7-16-29(28)33-30(24-11-2-1-3-12-24)34(31)32-21-22-9-8-14-26(19-22)36-27-18-17-23-10-4-5-13-25(23)20-27/h1-21H/b32-21+
InChIKey WJLKPSOJVKIGSD-RUMWWMSVSA-N
Mol Weight 467.53 g/mol
Molecular Formula C31H21N3O2
Exact Mass 467.163377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3hPwhWaV0c
Name 3-({(E)-[3-(naphthalen-2-yloxy)phenyl]methylidene}amino)-2-phenylquinazolin-4(3H)-one
Comments Computed using HOSE algorithm
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Exact Mass 467.163376926 u
Formula C31H21N3O2
InChI InChI=1S/C31H21N3O2/c35-31-28-15-6-7-16-29(28)33-30(24-11-2-1-3-12-24)34(31)32-21-22-9-8-14-26(19-22)36-27-18-17-23-10-4-5-13-25(23)20-27/h1-21H/b32-21+
InChIKey WJLKPSOJVKIGSD-RUMWWMSVSA-N
Molecular Weight 467.528 g/mol
SMILES C=1(N(C(C2=C(N1)C=CC=C2)=O)\N=C\C=1C=C(OC=2C=C3C=CC=CC3=CC2)C=CC1)C1=CC=CC=C1