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2-hydroxy-N'-[(1E)-1-(1-(2-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)ethyl]benzohydrazide
SpectraBase Compound ID DNdq402Vfx
InChI InChI=1S/C20H18N4O5/c1-11-7-3-5-9-14(11)24-19(28)16(18(27)21-20(24)29)12(2)22-23-17(26)13-8-4-6-10-15(13)25/h3-10,22,25H,1-2H3,(H,23,26)(H,21,27,29)/b16-12+
InChIKey ODGZNUSKLHIOJW-FOWTUZBSSA-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 2DPRARSuDyH
Name 2-Hydroxy-N'-[(1E)-1-(1-(2-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)ethyl]benzohydrazide
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/c1-11-7-3-5-9-14(11)24-19(28)16(18(27)21-20(24)29)12(2)22-23-17(26)13-8-4-6-10-15(13)25/h3-10,22,25H,1-2H3,(H,23,26)(H,21,27,29)/b16-12+
InChIKey ODGZNUSKLHIOJW-FOWTUZBSSA-N
Molecular Weight 394.387 g/mol
SMILES N(C(C=1C(=CC=CC1)O)=O)N\C(=C\1C(N(C(NC1=O)=O)C1=C(C)C=CC=C1)=O)C