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3-(4-Methoxyphenyl)-6,8-di-p-tolylpyrido[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
SpectraBase Compound ID BFHYCM16pV5
InChI InChI=1S/C29H23N5O2/c1-17-4-8-19(9-5-17)23-16-24(20-10-6-18(2)7-11-20)30-26-25(23)28(35)34-27(32-33-29(34)31-26)21-12-14-22(36-3)15-13-21/h4-16H,1-3H3,(H,30,31,33)
InChIKey TWEQJHDTDCJFCK-UHFFFAOYSA-N
Mol Weight 473.54 g/mol
Molecular Formula C29H23N5O2
Exact Mass 473.185175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GuNfeK4KDbf
Name 3-(4-Methoxyphenyl)-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 C29H23N5O2
InChI InChI=1S/C29H23N5O2/c1-17-4-8-19(9-5-17)23-16-24(20-10-6-18(2)7-11-20)30-26-25(23)28(35)34-27(32-33-29(34)31-26)21-12-14-22(36-3)15-13-21/h4-16H,1-3H3,(H,30,31,33)
InChIKey TWEQJHDTDCJFCK-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2699
Molecular Weight 473.536 g/mol
SMILES N1C=2N(C(=N1)c1ccc(cc1)OC)C(c1c(N2)nc(cc1-c1ccc(cc1)C)-c1ccc(cc1)C)=O
SPLASH splash10-00di-4215900000-7d09dcb4af00b91557c4
Source of Spectrum Y-54-1248-7d
Wiley ID 1878143