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3,9-diamino-7-benzyl-2H-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one
SpectraBase Compound ID 4xNaqW3IARq
InChI InChI=1S/C12H13N7O/c13-10-7-18-12(16-15-10)19(14)11(20)9(17-18)6-8-4-2-1-3-5-8/h1-5,7,15H,6,13-14H2
InChIKey YQRWETSGYSNSBG-UHFFFAOYSA-N
Mol Weight 271.28 g/mol
Molecular Formula C12H13N7O
Exact Mass 271.118158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEEJOSSsHz9
Name 3,9-diamino-7-benzyl-2H-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N7O
InChI InChI=1S/C12H13N7O/c13-10-7-18-12(16-15-10)19(14)11(20)9(17-18)6-8-4-2-1-3-5-8/h1-5,7,15H,6,13-14H2
InChIKey YQRWETSGYSNSBG-UHFFFAOYSA-N
Instrument Name Kratos & Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3127
Molecular Weight 271.284 g/mol
SMILES N1N=C2N(C=C1N)N=C(C(N2N)=O)Cc1ccccc1
SPLASH splash10-0hi6-9410000000-85ed8c8e71a436efb330
Source of Spectrum Y-55-SM28-13
Wiley ID 1879110