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(5Z)-5-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 5QITwthvXPg
InChI InChI=1S/C21H16N4O4/c1-13-16(20(28)25(23-13)15-10-6-3-7-11-15)12-17-18(26)22-21(29)24(19(17)27)14-8-4-2-5-9-14/h2-12,28H,1H3,(H,22,26,29)/b17-12-
InChIKey AFTXKCXKKTYRQX-ATVHPVEESA-N
Mol Weight 388.38 g/mol
Molecular Formula C21H16N4O4
Exact Mass 388.117155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID nQDXoWunt0
Name (5Z)-5-[(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.117155007 u
Formula C21H16N4O4
InChI InChI=1S/C21H16N4O4/c1-13-16(20(28)25(23-13)15-10-6-3-7-11-15)12-17-18(26)22-21(29)24(19(17)27)14-8-4-2-5-9-14/h2-12,28H,1H3,(H,22,26,29)/b17-12-
InChIKey AFTXKCXKKTYRQX-ATVHPVEESA-N
Molecular Weight 388.383 g/mol
SMILES N1C(\C(=C\C=2C(=NN(C2O)C=2C=CC=CC2)C)C(N(C1=O)C=1C=CC=CC1)=O)=O