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5-METHYL-7-(1H-1,2,4-TRIAZOL-1-YL)-2-(TRIFLUOROMETHYL)-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
SpectraBase Compound ID 6uuYHbtkFOh
InChI InChI=1S/C9H6F3N7/c1-5-2-6(18-4-13-3-14-18)19-8(15-5)16-7(17-19)9(10,11)12/h2-4H,1H3
InChIKey RQKDAHVKPBPJMJ-UHFFFAOYSA-N
Mol Weight 269.19 g/mol
Molecular Formula C9H6F3N7
Exact Mass 269.063678 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FEOoJToJEe7
Name 5-METHYL-7-(1H-1,2,4-TRIAZOL-1-YL)-2-(TRIFLUOROMETHYL)-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H6F3N7
InChI InChI=1S/C9H6F3N7/c1-5-2-6(18-4-13-3-14-18)19-8(15-5)16-7(17-19)9(10,11)12/h2-4H,1H3
InChIKey RQKDAHVKPBPJMJ-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 UWBT1091