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7-(3-CHLOROPHENYLAMINE)-5-METHYL-2-(TRIFLUOROMETHYL)-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
SpectraBase Compound ID JqkFTkhHMqQ
InChI InChI=1S/C13H9ClF3N5/c1-7-5-10(19-9-4-2-3-8(14)6-9)22-12(18-7)20-11(21-22)13(15,16)17/h2-6,19H,1H3
InChIKey OYXNDPKMRQGQPP-UHFFFAOYSA-N
Mol Weight 327.7 g/mol
Molecular Formula C13H9ClF3N5
Exact Mass 327.049857 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AW49DNkba9E
Name 7-(3-CHLOROPHENYLAMINE)-5-METHYL-2-(TRIFLUOROMETHYL)-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9ClF3N5
InChI InChI=1S/C13H9ClF3N5/c1-7-5-10(19-9-4-2-3-8(14)6-9)22-12(18-7)20-11(21-22)13(15,16)17/h2-6,19H,1H3
InChIKey OYXNDPKMRQGQPP-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 327.696 g/mol
Sample ID 1074
Solvent CD3OD