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3-Methyl-1-(4-nitrophenyl)-7-phenyl-1H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6(4H)-one
SpectraBase Compound ID 2LWsHEFVv2T
InChI InChI=1S/C17H13N7O3/c1-11-20-22(13-7-9-14(10-8-13)24(26)27)17-19-18-15(16(25)23(17)21-11)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21)
InChIKey RWAFQERCUKZWKS-UHFFFAOYSA-N
Mol Weight 363.34 g/mol
Molecular Formula C17H13N7O3
Exact Mass 363.107987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALxoW9oh1u
Name 3-Methyl-1-(4-nitrophenyl)-7-phenyl-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 C17H13N7O3
InChI InChI=1S/C17H13N7O3/c1-11-20-22(13-7-9-14(10-8-13)24(26)27)17-19-18-15(16(25)23(17)21-11)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21)
InChIKey RWAFQERCUKZWKS-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(200001)342_1_96
Molecular Weight 363.337 g/mol
SMILES N1C(=NN(C2=NN=C(C(N12)=O)c1ccccc1)c1ccc(cc1)[N+](=O)[O-])C
SPLASH splash10-03dr-1309000000-076d9603d28034e22fba
Source of Spectrum JF-342-99-10l
Wiley ID 1766880