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3-[6-(5-cyano-6-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-6-phenyl-1,2,4-triazine-5-carbonitrile
SpectraBase Compound ID AUN14dJp72m
InChI InChI=1S/C25H13N9/c26-14-20-22(16-8-3-1-4-9-16)31-33-24(29-20)18-12-7-13-19(28-18)25-30-21(15-27)23(32-34-25)17-10-5-2-6-11-17/h1-13H
InChIKey CSVAANXJFIBVPX-UHFFFAOYSA-N
Mol Weight 439.44 g/mol
Molecular Formula C25H13N9
Exact Mass 439.129391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkFePcJcGOH
Name 3-[6-(5-cyano-6-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-6-phenyl-1,2,4-triazine-5-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C25H13N9
InChI InChI=1S/C25H13N9/c26-14-20-22(16-8-3-1-4-9-16)31-33-24(29-20)18-12-7-13-19(28-18)25-30-21(15-27)23(32-34-25)17-10-5-2-6-11-17/h1-13H
InChIKey CSVAANXJFIBVPX-UHFFFAOYSA-N
Molecular Weight 439.442 g/mol
SMILES c1(cccc(n1)-c1nnc(c(n1)C#N)-c1ccccc1)-c1nnc(c(n1)C#N)-c1ccccc1
SPLASH splash10-004i-0900000000-110b314086192781a578
Source of Spectrum F-68-2886-10
Synonyms 3-[6-(5-cyano-6-phenyl-1,2,4-triazin-3-yl)-2-pyridyl]-6-phenyl-1,2,4-triazine-5-carbonitrile 3-[6-(5-cyano-6-phenyl-1,2,4-triazin-3-yl)pyridin-2-yl]-6-phenyl-1,2,4-triazine-5-carbonitrile
Wiley ID 1572206