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3-[6-[5-cyano-6-(4-methylphenyl)-1,2,4-triazin-3-yl]pyridin-2-yl]-6-(4-methylphenyl)-1,2,4-triazine-5-carbonitrile
SpectraBase Compound ID G6xo3kXYPsu
InChI InChI=1S/C27H17N9/c1-16-6-10-18(11-7-16)24-22(14-28)31-26(35-33-24)20-4-3-5-21(30-20)27-32-23(15-29)25(34-36-27)19-12-8-17(2)9-13-19/h3-13H,1-2H3
InChIKey WSRKBSWHPGZIJG-UHFFFAOYSA-N
Mol Weight 467.5 g/mol
Molecular Formula C27H17N9
Exact Mass 467.160692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAtqZw8tMJ4
Name 3-[6-[5-cyano-6-(4-methylphenyl)-1,2,4-triazin-3-yl]pyridin-2-yl]-6-(4-methylphenyl)-1,2,4-triazine-5-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C27H17N9
InChI InChI=1S/C27H17N9/c1-16-6-10-18(11-7-16)24-22(14-28)31-26(35-33-24)20-4-3-5-21(30-20)27-32-23(15-29)25(34-36-27)19-12-8-17(2)9-13-19/h3-13H,1-2H3
InChIKey WSRKBSWHPGZIJG-UHFFFAOYSA-N
Molecular Weight 467.496 g/mol
SMILES c1(cccc(n1)-c1nnc(c(n1)C#N)-c1ccc(cc1)C)-c1nnc(c(n1)C#N)-c1ccc(cc1)C
SPLASH splash10-0006-0900000000-06a91c024ed125a65362
Source of Spectrum F-68-2886-10
Synonyms 3-[6-[5-cyano-6-(p-tolyl)-1,2,4-triazin-3-yl]-2-pyridyl]-6-(p-tolyl)-1,2,4-triazine-5-carbonitrile
Wiley ID 1572205