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3-Benzoyl-1,7-diphenyl-1H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6(4H)-one
SpectraBase Compound ID 33qvp9XjiXc
InChI InChI=1S/C23H16N6O2/c30-20(17-12-6-2-7-13-17)21-26-28(18-14-8-3-9-15-18)23-25-24-19(22(31)29(23)27-21)16-10-4-1-5-11-16/h1-15H,(H,26,27)
InChIKey QBXAFHWIPSIKSX-UHFFFAOYSA-N
Mol Weight 408.42 g/mol
Molecular Formula C23H16N6O2
Exact Mass 408.133474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1oDGTgoHQd
Name 3-Benzoyl-1,7-diphenyl-1H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H16N6O2
InChI InChI=1S/C23H16N6O2/c30-20(17-12-6-2-7-13-17)21-26-28(18-14-8-3-9-15-18)23-25-24-19(22(31)29(23)27-21)16-10-4-1-5-11-16/h1-15H,(H,26,27)
InChIKey QBXAFHWIPSIKSX-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(200001)342_1_96
Molecular Weight 408.421 g/mol
SMILES N1C(=NN(C2=NN=C(C(N12)=O)c1ccccc1)c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-0a6r-6902400000-ad02583c083e613d90e7
Source of Spectrum JF-342-99-10i
Wiley ID 1766877