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N-(4-carboxyphenyl)-N'-(1-phenyl-2,3-dimethyl-5-oxo-3-pyrazolin-4-yl)oxalic acid diamide

View entire compound with spectra: 2 NMR

N-(4-carboxyphenyl)-N'-(1-phenyl-2,3-dimethyl-5-oxo-3-pyrazolin-4-yl)oxalic acid diamide
SpectraBase Compound ID 3U4GUxa6K0C
InChI InChI=1S/C20H18N4O5/c1-12-16(19(27)24(23(12)2)15-6-4-3-5-7-15)22-18(26)17(25)21-14-10-8-13(9-11-14)20(28)29/h3-11H,1-2H3,(H,21,25)(H,22,26)(H,28,29)
InChIKey QDBQAOPKGYFLRB-UHFFFAOYSA-N
Mol Weight 394.39 g/mol
Molecular Formula C20H18N4O5
Exact Mass 394.12772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AkEVeRtFwfG
Name N-(4-Carboxyphenyl)-N'-(1-phenyl-2,3-dimethyl-5-oxo-3-pyrazolin-4-yl)oxalic acid diamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.127719691 u
Formula C20H18N4O5
InChI InChI=1S/C20H18N4O5/c1-12-16(19(27)24(23(12)2)15-6-4-3-5-7-15)22-18(26)17(25)21-14-10-8-13(9-11-14)20(28)29/h3-11H,1-2H3,(H,21,25)(H,22,26)(H,28,29)
InChIKey QDBQAOPKGYFLRB-UHFFFAOYSA-N
Molecular Weight 394.387 g/mol
SMILES N(C=1C(N(c2ccccc2)N(C1C)C)=O)C(C(Nc1ccc(C(=O)O)cc1)=O)=O