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3-({(E)-[4-(1,3-benzodioxol-5-yloxy)phenyl]methylidene}amino)-2-propylquinazolin-4(3H)-one
SpectraBase Compound ID DFUm9uianAx
InChI InChI=1S/C25H21N3O4/c1-2-5-24-27-21-7-4-3-6-20(21)25(29)28(24)26-15-17-8-10-18(11-9-17)32-19-12-13-22-23(14-19)31-16-30-22/h3-4,6-15H,2,5,16H2,1H3/b26-15+
InChIKey PDBZCEPFZMIFBK-CVKSISIWSA-N
Mol Weight 427.46 g/mol
Molecular Formula C25H21N3O4
Exact Mass 427.153206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANW0OUazrUd
Name 3-({(E)-[4-(1,3-benzodioxol-5-yloxy)phenyl]methylidene}amino)-2-propylquinazolin-4(3H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.153206164 u
Formula C25H21N3O4
InChI InChI=1S/C25H21N3O4/c1-2-5-24-27-21-7-4-3-6-20(21)25(29)28(24)26-15-17-8-10-18(11-9-17)32-19-12-13-22-23(14-19)31-16-30-22/h3-4,6-15H,2,5,16H2,1H3/b26-15+
InChIKey PDBZCEPFZMIFBK-CVKSISIWSA-N
Molecular Weight 427.460 g/mol
SMILES C1(N(C(=NC=2C=CC=CC12)CCC)\N=C\C=1C=CC(OC=2C=C3C(OCO3)=CC2)=CC1)=O