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1,2,4-Triazolidine-1,2-dicarboxamide, 3,5-dioxo-N,N',4-triphenyl-

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1,2,4-Triazolidine-1,2-dicarboxamide, 3,5-dioxo-N,N',4-triphenyl-
SpectraBase Compound ID Fvt0wYPfYZ0
InChI InChI=1S/C22H17N5O4/c28-19(23-16-10-4-1-5-11-16)26-21(30)25(18-14-8-3-9-15-18)22(31)27(26)20(29)24-17-12-6-2-7-13-17/h1-15H,(H,23,28)(H,24,29)
InChIKey GOXOQLKOBCAYNG-UHFFFAOYSA-N
Mol Weight 415.41 g/mol
Molecular Formula C22H17N5O4
Exact Mass 415.128054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cz56xq2o3O6
Name 1,2,4-Triazolidine-1,2-dicarboxamide, 3,5-dioxo-N,N',4-triphenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.128054043 u
Formula C22H17N5O4
InChI InChI=1S/C22H17N5O4/c28-19(23-16-10-4-1-5-11-16)26-21(30)25(18-14-8-3-9-15-18)22(31)27(26)20(29)24-17-12-6-2-7-13-17/h1-15H,(H,23,28)(H,24,29)
InChIKey GOXOQLKOBCAYNG-UHFFFAOYSA-N
Molecular Weight 415.409 g/mol
SMILES N(C1=CC=CC=C1)C(N1N(C(NC2=CC=CC=C2)=O)C(N(C1=O)C1=CC=CC=C1)=O)=O