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7-(PERFLUOROMETHYL)-2,5-DIPHENYL-5,8-DIHYDRO-[1,2,4]-TRIAZOLO-[1,2-A]-[1,2,4]-TRIAZINE-1,3-DIONE
SpectraBase Compound ID 8T73FIoYCRa
InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)14-11-23-16(26)24(13-9-5-2-6-10-13)17(27)25(23)15(22-14)12-7-3-1-4-8-12/h1-10,15H,11H2/t15-/m0/s1
InChIKey BUTANQCGRGWUHL-HNNXBMFYSA-N
Mol Weight 374.32 g/mol
Molecular Formula C18H13F3N4O2
Exact Mass 374.09906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7k90dVEuZOY
Name 7-(PERFLUOROMETHYL)-2,5-DIPHENYL-5,8-DIHYDRO-[1,2,4]-TRIAZOLO-[1,2-A]-[1,2,4]-TRIAZINE-1,3-DIONE
Compound Number 19A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13F3N4O2
InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)14-11-23-16(26)24(13-9-5-2-6-10-13)17(27)25(23)15(22-14)12-7-3-1-4-8-12/h1-10,15H,11H2/t15-/m0/s1
InChIKey BUTANQCGRGWUHL-HNNXBMFYSA-N
Literature Reference Author F.PALACIOS,C.ALONSO,M.RODRIGUEZ,E.M.D.MARIGORTA,G.RUBIALES
Literature Reference Citation EUR.J.ORG.CHEM.,1795(2005)
Literature Reference DOI 10.1002/ejoc.200400770
Molecular Weight 374.322 g/mol
Sample ID 39135
Solvent CDCl3