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3-({(E)-[4-(4-chloro-3-methylphenoxy)phenyl]methylidene}amino)-2-phenylquinazolin-4(3H)-one
SpectraBase Compound ID KKydHOJT40n
InChI InChI=1S/C28H20ClN3O2/c1-19-17-23(15-16-25(19)29)34-22-13-11-20(12-14-22)18-30-32-27(21-7-3-2-4-8-21)31-26-10-6-5-9-24(26)28(32)33/h2-18H,1H3/b30-18+
InChIKey CHZLDMRUNLIVGX-UXHLAJHPSA-N
Mol Weight 465.94 g/mol
Molecular Formula C28H20ClN3O2
Exact Mass 465.124405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ZlOoHTF2H
Name 3-({(E)-[4-(4-chloro-3-methylphenoxy)phenyl]methylidene}amino)-2-phenylquinazolin-4(3H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.124404594 u
Formula C28H20ClN3O2
InChI InChI=1S/C28H20ClN3O2/c1-19-17-23(15-16-25(19)29)34-22-13-11-20(12-14-22)18-30-32-27(21-7-3-2-4-8-21)31-26-10-6-5-9-24(26)28(32)33/h2-18H,1H3/b30-18+
InChIKey CHZLDMRUNLIVGX-UXHLAJHPSA-N
Molecular Weight 465.940 g/mol
SMILES C=1(N(C(C2=C(N1)C=CC=C2)=O)\N=C\C=1C=CC(OC=2C=C(C)C(=CC2)Cl)=CC1)C1=CC=CC=C1