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1-(2,4-DICHLOROPHENYL)-5-(4-FLUOROPHENYL)-3-HEXYL-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID DHcHxW5DJq8
InChI InChI=1S/C20H20Cl2FN3/c1-2-3-4-5-6-19-24-20(14-7-10-16(23)11-8-14)26(25-19)18-12-9-15(21)13-17(18)22/h7-13H,2-6H2,1H3
InChIKey NMYPOYKEDREQPE-UHFFFAOYSA-N
Mol Weight 392.31 g/mol
Molecular Formula C20H20Cl2FN3
Exact Mass 391.101831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMDvvnQNnoP
Name 1-(2,4-DICHLOROPHENYL)-5-(4-FLUOROPHENYL)-3-HEXYL-1H-1,2,4-TRIAZOLE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20Cl2FN3
InChI InChI=1S/C20H20Cl2FN3/c1-2-3-4-5-6-19-24-20(14-7-10-16(23)11-8-14)26(25-19)18-12-9-15(21)13-17(18)22/h7-13H,2-6H2,1H3
InChIKey NMYPOYKEDREQPE-UHFFFAOYSA-N
Literature Reference Author L.HERNANDEZ-FOLGADO,P.GOYA,J.FRIGOLA,M.R.CUBERES,A.DORDAL,J. HOLENZ,N.JAGEROVIC
Literature Reference Citation MH.CHEM.,139,1073(2008)
Literature Reference DOI 10.1007/s00706-008-0890-8
Molecular Weight 392.303 g/mol
Sample ID 40052
Solvent CDCl3