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2-{[4-(4-Oxo-2-phenyl-1,4-dihydroquinazolin-3(2H)-yl)benzoyl]amino}acetic acid
SpectraBase Compound ID 78oPw3Gr13f
InChI InChI=1S/C23H19N3O4/c27-20(28)14-24-22(29)16-10-12-17(13-11-16)26-21(15-6-2-1-3-7-15)25-19-9-5-4-8-18(19)23(26)30/h1-13,21,25H,14H2,(H,24,29)(H,27,28)
InChIKey JVGIGQCGPYXHEG-UHFFFAOYSA-N
Mol Weight 401.42 g/mol
Molecular Formula C23H19N3O4
Exact Mass 401.137556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EgDhIyKCsH9
Name 2-{[4-(4-oxo-2-Phenyl-1,4-dihydroquinazolin-3(2H)-yl)benzoyl]amino}acetic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.137556100 u
Formula C23H19N3O4
InChI InChI=1S/C23H19N3O4/c27-20(28)14-24-22(29)16-10-12-17(13-11-16)26-21(15-6-2-1-3-7-15)25-19-9-5-4-8-18(19)23(26)30/h1-13,21,25H,14H2,(H,24,29)(H,27,28)
InChIKey JVGIGQCGPYXHEG-UHFFFAOYSA-N
Molecular Weight 401.422 g/mol
SMILES C(CNC(C=1C=CC(=CC1)N1C(NC=2C=CC=CC2C1=O)C=1C=CC=CC1)=O)(=O)O