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3-(4-pyridyl)-4-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazole
SpectraBase Compound ID 2stoYGlzK6D
InChI InChI=1S/C21H15F3N4O2/c1-29-17-7-5-16(6-8-17)28-19(14-9-11-25-12-10-14)26-27-20(28)30-18-4-2-3-15(13-18)21(22,23)24/h2-13H,1H3
InChIKey GWMGZGYDZFZCDZ-UHFFFAOYSA-N
Mol Weight 412.37 g/mol
Molecular Formula C21H15F3N4O2
Exact Mass 412.11471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESYzxsyBquE
Name 3-(4-pyridyl)-4-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazole
Alternate Name(s) 4-(4-(4-methoxyphenyl)-5-(3-(trifluoromethyl)phenoxy)-4H-1,2,4-triazol-3-yl)pyridine
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Formula C21H15F3N4O2
InChI InChI=1S/C21H15F3N4O2/c1-29-17-7-5-16(6-8-17)28-19(14-9-11-25-12-10-14)26-27-20(28)30-18-4-2-3-15(13-18)21(22,23)24/h2-13H,1H3
InChIKey GWMGZGYDZFZCDZ-UHFFFAOYSA-N
Molecular Weight 412.372 g/mol
SMILES c1([n](c(nn1)-c1ccncc1)-c1ccc(cc1)OC)Oc1cc(C(F)(F)F)ccc1
SPLASH splash10-0002-3901400000-e602d3e7de4c14d39239
Source of Spectrum Y-51-E337-4c
Wiley ID 1741533