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3-(4-Chlorophenyl)-6,8-di-p-tolylpyrido[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
SpectraBase Compound ID DwIrSZHnhFu
InChI InChI=1S/C28H20ClN5O/c1-16-3-7-18(8-4-16)22-15-23(19-9-5-17(2)6-10-19)30-25-24(22)27(35)34-26(32-33-28(34)31-25)20-11-13-21(29)14-12-20/h3-15H,1-2H3,(H,30,31,33)
InChIKey VSVCUJBAJNZRDG-UHFFFAOYSA-N
Mol Weight 477.96 g/mol
Molecular Formula C28H20ClN5O
Exact Mass 477.135638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6T2wGBODJH1
Name 3-(4-Chlorophenyl)-6,8-di-p-tolylpyrido[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20ClN5O
InChI InChI=1S/C28H20ClN5O/c1-16-3-7-18(8-4-16)22-15-23(19-9-5-17(2)6-10-19)30-25-24(22)27(35)34-26(32-33-28(34)31-25)20-11-13-21(29)14-12-20/h3-15H,1-2H3,(H,30,31,33)
InChIKey VSVCUJBAJNZRDG-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2699
Molecular Weight 477.955 g/mol
SMILES N1C=2N(C(=N1)c1ccc(cc1)Cl)C(c1c(N2)nc(cc1-c1ccc(cc1)C)-c1ccc(cc1)C)=O
SPLASH splash10-00pj-2430900000-19632312b2ba6e647dac
Source of Spectrum Y-54-1248-7e
Wiley ID 1878144