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3-Acetyl-1,7-diphenyl-1H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6(4H)-one
SpectraBase Compound ID GV3A5gVnDEL
InChI InChI=1S/C18H14N6O2/c1-12(25)16-21-23(14-10-6-3-7-11-14)18-20-19-15(17(26)24(18)22-16)13-8-4-2-5-9-13/h2-11H,1H3,(H,21,22)
InChIKey CIAJOQFKABPJDB-UHFFFAOYSA-N
Mol Weight 346.35 g/mol
Molecular Formula C18H14N6O2
Exact Mass 346.117824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Emd0NQRRwLg
Name 3-Acetyl-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 C18H14N6O2
InChI InChI=1S/C18H14N6O2/c1-12(25)16-21-23(14-10-6-3-7-11-14)18-20-19-15(17(26)24(18)22-16)13-8-4-2-5-9-13/h2-11H,1H3,(H,21,22)
InChIKey CIAJOQFKABPJDB-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(200001)342_1_96
Molecular Weight 346.350 g/mol
SMILES N1C(=NN(C2=NN=C(C(N12)=O)c1ccccc1)c1ccccc1)C(=O)C
SPLASH splash10-016s-5509000000-5b709c3452fac7f20be9
Source of Spectrum JF-342-99-10f
Wiley ID 1766875