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2-(4-(4-Nitrophenyl)-6-phenyl-2-pyrimidinylamino)benzoic acid methyl ester

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2-(4-(4-Nitrophenyl)-6-phenyl-2-pyrimidinylamino)benzoic acid methyl ester
SpectraBase Compound ID Iyeuub9EjNC
InChI InChI=1S/C24H18N4O4/c1-32-23(29)19-9-5-6-10-20(19)25-24-26-21(16-7-3-2-4-8-16)15-22(27-24)17-11-13-18(14-12-17)28(30)31/h2-15H,1H3,(H,25,26,27)
InChIKey PXAMEXZBKFQCRD-UHFFFAOYSA-N
Mol Weight 426.43 g/mol
Molecular Formula C24H18N4O4
Exact Mass 426.132805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1Gg7t5OzHO
Name 2-(4-(4-Nitrophenyl)-6-phenyl-2-pyrimidinylamino)benzoic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.132805072 u
Formula C24H18N4O4
InChI InChI=1S/C24H18N4O4/c1-32-23(29)19-9-5-6-10-20(19)25-24-26-21(16-7-3-2-4-8-16)15-22(27-24)17-11-13-18(14-12-17)28(30)31/h2-15H,1H3,(H,25,26,27)
InChIKey PXAMEXZBKFQCRD-UHFFFAOYSA-N
Molecular Weight 426.432 g/mol
SMILES C(C1=C(C=CC=C1)NC1=NC(=CC(=N1)C1=CC=CC=C1)C1=CC=C(C=C1)N(=O)=O)(=O)OC