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3-(4-pyridyl)-4-(2-methylphenyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazole
SpectraBase Compound ID FZSLio0LFCh
InChI InChI=1S/C21H15F3N4O/c1-14-5-2-3-8-18(14)28-19(15-9-11-25-12-10-15)26-27-20(28)29-17-7-4-6-16(13-17)21(22,23)24/h2-13H,1H3
InChIKey KOJKOBXOOIVILJ-UHFFFAOYSA-N
Mol Weight 396.37 g/mol
Molecular Formula C21H15F3N4O
Exact Mass 396.119796 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhRDuOPSg4T
Name 3-(4-pyridyl)-4-(2-methylphenyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazole
Alternate Name(s) 4-(4-(o-tolyl)-5-(3-(trifluoromethyl)phenoxy)-4H-1,2,4-triazol-3-yl)pyridine
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Formula C21H15F3N4O
InChI InChI=1S/C21H15F3N4O/c1-14-5-2-3-8-18(14)28-19(15-9-11-25-12-10-15)26-27-20(28)29-17-7-4-6-16(13-17)21(22,23)24/h2-13H,1H3
InChIKey KOJKOBXOOIVILJ-UHFFFAOYSA-N
Molecular Weight 396.373 g/mol
SMILES c1([n](c(nn1)-c1ccncc1)-c1c(C)cccc1)Oc1cc(C(F)(F)F)ccc1
SPLASH splash10-00lm-8976000000-d266e3fbb0ba0812ea1c
Source of Spectrum Y-51-E338-4d
Wiley ID 1741532