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4-[4-(4-Fluorophenylamino)-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-sydnone
SpectraBase Compound ID HzlluX7VAqU
InChI InChI=1S/C24H19FN6O3/c1-15-3-11-19(12-4-15)29-21(23(32)34-28-29)22-27-30(20-13-5-16(2)6-14-20)24(33)31(22)26-18-9-7-17(25)8-10-18/h3-14,26H,1-2H3
InChIKey GDSSBKVDJACQHJ-UHFFFAOYSA-N
Mol Weight 458.45 g/mol
Molecular Formula C24H19FN6O3
Exact Mass 458.150267 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8zMMDvrNWbT
Name 4-[4-(4-Fluorophenylamino)-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-sydnone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H19FN6O3
InChI InChI=1S/C24H19FN6O3/c1-15-3-11-19(12-4-15)29-21(23(32)34-28-29)22-27-30(20-13-5-16(2)6-14-20)24(33)31(22)26-18-9-7-17(25)8-10-18/h3-14,26H,1-2H3
InChIKey GDSSBKVDJACQHJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200000027
Molecular Weight 458.453 g/mol
SMILES N(c1ccc(F)cc1)N1C(c2c([O-])on[n+]2-c2ccc(C)cc2)=NN(c2ccc(cc2)C)C1=O
SPLASH splash10-0006-9447400000-c722b80cfccff5413b5c
Source of Spectrum QA-47-239-13g
Synonyms 4-(4-((4-fluorophenyl)amino)-5-oxo-1-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl)-3-(p-tolyl)-1,2,3-oxadiazol-3-ium-5-olate
Wiley ID 1795099