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6,8-Di-p-tolylpyrido[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
SpectraBase Compound ID 4A5E7TKV3ao
InChI InChI=1S/C22H17N5O/c1-13-3-7-15(8-4-13)17-11-18(16-9-5-14(2)6-10-16)24-20-19(17)21(28)27-12-23-26-22(27)25-20/h3-12H,1-2H3,(H,24,25,26)
InChIKey JBMPLCPRUHLECY-UHFFFAOYSA-N
Mol Weight 367.41 g/mol
Molecular Formula C22H17N5O
Exact Mass 367.14331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AK8Udlylys
Name 6,8-Di-p-tolylpyrido[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17N5O
InChI InChI=1S/C22H17N5O/c1-13-3-7-15(8-4-13)17-11-18(16-9-5-14(2)6-10-16)24-20-19(17)21(28)27-12-23-26-22(27)25-20/h3-12H,1-2H3,(H,24,25,26)
InChIKey JBMPLCPRUHLECY-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2699
Molecular Weight 367.412 g/mol
SMILES N1C=2N(C=N1)C(c1c(cc(nc1N2)-c1ccc(cc1)C)-c1ccc(cc1)C)=O
SPLASH splash10-0a4i-1920000000-ac35262cfa9504e2c1bf
Source of Spectrum Y-54-1248-8
Wiley ID 1878147