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5-METHYL-2-(TRIFLUOROMETHYL)-7-[5-(TRIFLUOROMETHYL)-3-AMINE-4H-1,2,4-TRIAZOLYL]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
SpectraBase Compound ID HNyA54s6OUf
InChI InChI=1S/C10H6F6N8/c1-3-2-4(18-7-19-5(21-22-7)9(11,12)13)24-8(17-3)20-6(23-24)10(14,15)16/h2H,1H3,(H2,18,19,21,22)
InChIKey DFUWZWLVPPSXRM-UHFFFAOYSA-N
Mol Weight 352.2 g/mol
Molecular Formula C10H6F6N8
Exact Mass 352.061961 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zEcymdyi8X
Name 5-METHYL-2-(TRIFLUOROMETHYL)-7-[5-(TRIFLUOROMETHYL)-3-AMINE-4H-1,2,4-TRIAZOLYL]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H6F6N8
InChI InChI=1S/C10H6F6N8/c1-3-2-4(18-7-19-5(21-22-7)9(11,12)13)24-8(17-3)20-6(23-24)10(14,15)16/h2H,1H3,(H2,18,19,21,22)
InChIKey DFUWZWLVPPSXRM-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
Solvent CD3OD
Source File Reference UWBT1088