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3-Phenyl-6,8-di-p-tolylpyrido[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
SpectraBase Compound ID GMAe8evIrNG
InChI InChI=1S/C28H21N5O/c1-17-8-12-19(13-9-17)22-16-23(20-14-10-18(2)11-15-20)29-25-24(22)27(34)33-26(31-32-28(33)30-25)21-6-4-3-5-7-21/h3-16H,1-2H3,(H,29,30,32)
InChIKey QCMZBENADAZCLV-UHFFFAOYSA-N
Mol Weight 443.51 g/mol
Molecular Formula C28H21N5O
Exact Mass 443.17461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQxvp9xkw7d
Name 3-Phenyl-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 C28H21N5O
InChI InChI=1S/C28H21N5O/c1-17-8-12-19(13-9-17)22-16-23(20-14-10-18(2)11-15-20)29-25-24(22)27(34)33-26(31-32-28(33)30-25)21-6-4-3-5-7-21/h3-16H,1-2H3,(H,29,30,32)
InChIKey QCMZBENADAZCLV-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2699
Molecular Weight 443.510 g/mol
SMILES N1C=2N(C(=N1)c1ccccc1)C(c1c(N2)nc(cc1-c1ccc(cc1)C)-c1ccc(cc1)C)=O
SPLASH splash10-014i-2129100000-aa01e6ff84547072f24d
Source of Spectrum Y-54-1247-7a
Wiley ID 1878141