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5-METHYL-7-(NAPHTHALEN-1-YLAMINE)-2-(TRIFLUOROMETHYL)-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
SpectraBase Compound ID BYdkhICEHMa
InChI InChI=1S/C17H12F3N5/c1-10-9-14(25-16(21-10)23-15(24-25)17(18,19)20)22-13-8-4-6-11-5-2-3-7-12(11)13/h2-9,22H,1H3
InChIKey NXBJEFSXKAKDOQ-UHFFFAOYSA-N
Mol Weight 343.31 g/mol
Molecular Formula C17H12F3N5
Exact Mass 343.10448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69qHSRZKd1D
Name 5-METHYL-7-(NAPHTHALEN-1-YLAMINE)-2-(TRIFLUOROMETHYL)-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H12F3N5
InChI InChI=1S/C17H12F3N5/c1-10-9-14(25-16(21-10)23-15(24-25)17(18,19)20)22-13-8-4-6-11-5-2-3-7-12(11)13/h2-9,22H,1H3
InChIKey NXBJEFSXKAKDOQ-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 343.311 g/mol
Sample ID 1071
Solvent CD3OD