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2,5-BIS-(TRIFLUOROMETHYL)-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDIN-7-(4H)-ONE
SpectraBase Compound ID 3v7gl3TttIB
InChI InChI=1S/C7H2F6N4O/c8-6(9,10)2-1-3(18)17-5(14-2)15-4(16-17)7(11,12)13/h1H,(H,14,15,16)
InChIKey HCKWTJTWTXNODX-UHFFFAOYSA-N
Mol Weight 272.11 g/mol
Molecular Formula C7H2F6N4O
Exact Mass 272.01328 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQzpfuDUc4P
Name 2,5-BIS-(TRIFLUOROMETHYL)-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDIN-7-(4H)-ONE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H2F6N4O
InChI InChI=1S/C7H2F6N4O/c8-6(9,10)2-1-3(18)17-5(14-2)15-4(16-17)7(11,12)13/h1H,(H,14,15,16)
InChIKey HCKWTJTWTXNODX-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 UWBT1068