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1-(2,4-DICHLOROPHENYL)-5-(4-FLUOROPHENYL)-3-HEPTYL-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID KG71LJEEBkr
InChI InChI=1S/C21H22Cl2FN3/c1-2-3-4-5-6-7-20-25-21(15-8-11-17(24)12-9-15)27(26-20)19-13-10-16(22)14-18(19)23/h8-14H,2-7H2,1H3
InChIKey PXZFEAVIQZNZKJ-UHFFFAOYSA-N
Mol Weight 406.33 g/mol
Molecular Formula C21H22Cl2FN3
Exact Mass 405.117481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7SXNCxhh9TG
Name 1-(2,4-DICHLOROPHENYL)-5-(4-FLUOROPHENYL)-3-HEPTYL-1H-1,2,4-TRIAZOLE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22Cl2FN3
InChI InChI=1S/C21H22Cl2FN3/c1-2-3-4-5-6-7-20-25-21(15-8-11-17(24)12-9-15)27(26-20)19-13-10-16(22)14-18(19)23/h8-14H,2-7H2,1H3
InChIKey PXZFEAVIQZNZKJ-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 406.330 g/mol
Sample ID 40055
Solvent CDCl3