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.omaga.-[1-(4-Methylphenyl)-5-methyl-1,2,3-triazole-4-carbonyl]-.omaga.-(1H-1,2,4-triazol-1-yl)acetophenone
SpectraBase Compound ID KZ4eWz38vlO
InChI InChI=1S/C21H18N6O3/c1-14-8-10-17(11-9-14)27-15(2)18(24-25-27)21(29)30-20(26-13-22-12-23-26)19(28)16-6-4-3-5-7-16/h3-13,20H,1-2H3
InChIKey OGDBESNORRXKLD-UHFFFAOYSA-N
Mol Weight 402.41 g/mol
Molecular Formula C21H18N6O3
Exact Mass 402.144038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWXK8LkFOzQ
Name .omaga.-[1-(4-Methylphenyl)-5-methyl-1,2,3-triazole-4-carbonyl]-.omaga.-(1H-1,2,4-triazol-1-yl)acetophenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N6O3
InChI InChI=1S/C21H18N6O3/c1-14-8-10-17(11-9-14)27-15(2)18(24-25-27)21(29)30-20(26-13-22-12-23-26)19(28)16-6-4-3-5-7-16/h3-13,20H,1-2H3
InChIKey OGDBESNORRXKLD-UHFFFAOYSA-N
Molecular Weight 402.414 g/mol
SMILES c1cc(ccc1C)-[n]1nnc(c1C)C(=O)OC(C(c1ccccc1)=O)[n]1cncn1
SPLASH splash10-0a4i-0910000000-5362d6b8d314620d049c
Source of Spectrum Y1-40B-855-3d
Synonyms .omega.-[1-(4-Methylphenyl)-5-methyl-1, 2, 3-triazole-4-carboxyl]-.omega.-(1H-1,2,4-triazol-1yl)acetophenone 2-Oxo-2-phenyl-1-(1H-1,2,4-triazol-1-yl)ethyl 5-methyl-1-(p-tolyl)-1H-1,2,3-triazole-4-carboxylate
Wiley ID 1744095