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5-Amino-1-(5,6-diphenyl-1,2,4-triazin-3-yl)-4-(2-hydroxy-5-methylbenzoyl)-1H-pyrazole
SpectraBase Compound ID 5OoAfC8c67I
InChI InChI=1S/C26H20N6O2/c1-16-12-13-21(33)19(14-16)24(34)20-15-28-32(25(20)27)26-29-22(17-8-4-2-5-9-17)23(30-31-26)18-10-6-3-7-11-18/h2-15,33H,27H2,1H3
InChIKey HEXUQAYZKIBHBX-UHFFFAOYSA-N
Mol Weight 448.49 g/mol
Molecular Formula C26H20N6O2
Exact Mass 448.164774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HqAJIvXkAPq
Name 5-Amino-1-(5,6-diphenyl-1,2,4-triazin-3-yl)-4-(2-hydroxy-5-methylbenzoyl)-1H-pyrazole
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20N6O2
InChI InChI=1S/C26H20N6O2/c1-16-12-13-21(33)19(14-16)24(34)20-15-28-32(25(20)27)26-29-22(17-8-4-2-5-9-17)23(30-31-26)18-10-6-3-7-11-18/h2-15,33H,27H2,1H3
InChIKey HEXUQAYZKIBHBX-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2355
Molecular Weight 448.486 g/mol
SMILES Nc1c(C(c2c(ccc(c2)C)O)=O)cn[n]1-c1nnc(c(n1)-c1ccccc1)-c1ccccc1
SPLASH splash10-00sl-7956600000-e96f410d3d3e4457fb61
Source of Spectrum Y-53-863-11
Wiley ID 1876461