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7-(2,6-DIFLUOROPHENYLAMINE)-5-METHYL-2-(TRIFLUOROMETHYL)-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
SpectraBase Compound ID 8juL9AgdJEp
InChI InChI=1S/C13H8F5N5/c1-6-5-9(20-10-7(14)3-2-4-8(10)15)23-12(19-6)21-11(22-23)13(16,17)18/h2-5,20H,1H3
InChIKey PPKGMDHAYCVIJC-UHFFFAOYSA-N
Mol Weight 329.23 g/mol
Molecular Formula C13H8F5N5
Exact Mass 329.069986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID r681ZDoqgT
Name 7-(2,6-DIFLUOROPHENYLAMINE)-5-METHYL-2-(TRIFLUOROMETHYL)-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H8F5N5
InChI InChI=1S/C13H8F5N5/c1-6-5-9(20-10-7(14)3-2-4-8(10)15)23-12(19-6)21-11(22-23)13(16,17)18/h2-5,20H,1H3
InChIKey PPKGMDHAYCVIJC-UHFFFAOYSA-N
Literature Reference Author N.BOECHAT,L.C.S.PINHEIRO,T.S.SILVA,A.C.C.AGUIAR,A.S.CARVALHO ,M.M.BASTOS,C.C.P.CO
Literature Reference Citation MOLECULES,17,8285(2012)
Literature Reference DOI 10.3390/molecules17078285
Molecular Weight 329.232 g/mol
Sample ID 1077
Solvent CD3OD