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3-({(E)-[4-(1,3-benzodioxol-5-yloxy)phenyl]methylidene}amino)-2-methylquinazolin-4(3H)-one
SpectraBase Compound ID 2Zc24insGDw
InChI InChI=1S/C23H17N3O4/c1-15-25-20-5-3-2-4-19(20)23(27)26(15)24-13-16-6-8-17(9-7-16)30-18-10-11-21-22(12-18)29-14-28-21/h2-13H,14H2,1H3/b24-13+
InChIKey DGGOIOKUZCDHLU-ZMOGYAJESA-N
Mol Weight 399.41 g/mol
Molecular Formula C23H17N3O4
Exact Mass 399.121906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3KIz080CBWa
Name 3-({(E)-[4-(1,3-benzodioxol-5-yloxy)phenyl]methylidene}amino)-2-methylquinazolin-4(3H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.121906035 u
Formula C23H17N3O4
InChI InChI=1S/C23H17N3O4/c1-15-25-20-5-3-2-4-19(20)23(27)26(15)24-13-16-6-8-17(9-7-16)30-18-10-11-21-22(12-18)29-14-28-21/h2-13H,14H2,1H3/b24-13+
InChIKey DGGOIOKUZCDHLU-ZMOGYAJESA-N
Molecular Weight 399.406 g/mol
SMILES C1(N(C(=NC2=C1C=CC=C2)C)\N=C\C1=CC=C(OC=2C=C3OCOC3=CC2)C=C1)=O