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6-Oxo-N,1,7-triphenyl-4,6-dihydro-1H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazine-3-carboxamide
SpectraBase Compound ID K0Zq9QPqaWr
InChI InChI=1S/C23H17N7O2/c31-21(24-17-12-6-2-7-13-17)20-27-29(18-14-8-3-9-15-18)23-26-25-19(22(32)30(23)28-20)16-10-4-1-5-11-16/h1-15H,(H,24,31)(H,27,28)
InChIKey VVQGAYUFHMXRQK-UHFFFAOYSA-N
Mol Weight 423.44 g/mol
Molecular Formula C23H17N7O2
Exact Mass 423.144373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNP2LVW3ULb
Name 6-Oxo-N,1,7-triphenyl-4,6-dihydro-1H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazine-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17N7O2
InChI InChI=1S/C23H17N7O2/c31-21(24-17-12-6-2-7-13-17)20-27-29(18-14-8-3-9-15-18)23-26-25-19(22(32)30(23)28-20)16-10-4-1-5-11-16/h1-15H,(H,24,31)(H,27,28)
InChIKey VVQGAYUFHMXRQK-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(200001)342_1_96
Molecular Weight 423.436 g/mol
SMILES N(C(C1=NN(C2=NN=C(C(N2N1)=O)c1ccccc1)c1ccccc1)=O)c1ccccc1
SPLASH splash10-00fs-9804800000-e9a4dabd931117c8b9c9
Source of Spectrum JF-342-99-10d
Wiley ID 1766874