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1,2,4-Triazolo[4,3-a]pyrimidin-7(8H)-one, 3-trifluoromethyl-5-methyl-6-phenoxy-
SpectraBase Compound ID 4xOPL85bItP
InChI InChI=1S/C13H9F3N4O2/c1-7-9(22-8-5-3-2-4-6-8)10(21)17-12-19-18-11(20(7)12)13(14,15)16/h2-6H,1H3,(H,17,19,21)
InChIKey JERDVNXVTNUFKW-UHFFFAOYSA-N
Mol Weight 310.24 g/mol
Molecular Formula C13H9F3N4O2
Exact Mass 310.06776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFfduK6rjdm
Name 1,2,4-Triazolo[4,3-a]pyrimidin-7(8H)-one, 3-trifluoromethyl-5-methyl-6-phenoxy-
Alternate Name(s) 5-Methyl-6-phenoxy-3-(trifluoromethyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one 5-Methyl-6-phenoxy-3-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
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Formula C13H9F3N4O2
InChI InChI=1S/C13H9F3N4O2/c1-7-9(22-8-5-3-2-4-6-8)10(21)17-12-19-18-11(20(7)12)13(14,15)16/h2-6H,1H3,(H,17,19,21)
InChIKey JERDVNXVTNUFKW-UHFFFAOYSA-N
Molecular Weight 310.236 g/mol
SMILES N1C(C(=C([n]2c1nnc2C(F)(F)F)C)Oc1ccccc1)=O
SPLASH splash10-03fr-9544000000-49a8d90530c6fd6a81d7
Wiley ID 1456250