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7-(PERFLUOROPROPYL)-2,5-DIPHENYL-5,8-DIHYDRO-[1,2,4]-TRIAZOLO-[1,2-A]-[1,2,4]-TRIAZINE-1,3-DIONE
SpectraBase Compound ID 7fiQFk4mPR4
InChI InChI=1S/C20H13F7N4O2/c21-18(22,19(23,24)20(25,26)27)14-11-29-16(32)30(13-9-5-2-6-10-13)17(33)31(29)15(28-14)12-7-3-1-4-8-12/h1-10,15H,11H2/t15-/m0/s1
InChIKey BMKQHFNUBTUVDF-HNNXBMFYSA-N
Mol Weight 474.34 g/mol
Molecular Formula C20H13F7N4O2
Exact Mass 474.092673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSNFOtGSCiQ
Name 7-(PERFLUOROPROPYL)-2,5-DIPHENYL-5,8-DIHYDRO-[1,2,4]-TRIAZOLO-[1,2-A]-[1,2,4]-TRIAZINE-1,3-DIONE
Compound Number 19B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H13F7N4O2
InChI InChI=1S/C20H13F7N4O2/c21-18(22,19(23,24)20(25,26)27)14-11-29-16(32)30(13-9-5-2-6-10-13)17(33)31(29)15(28-14)12-7-3-1-4-8-12/h1-10,15H,11H2/t15-/m0/s1
InChIKey BMKQHFNUBTUVDF-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 474.338 g/mol
Sample ID 39141
Solvent CDCl3