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1,4-BIS-[5-(TRIFLUOROMETHYL)-5-HYDROXY-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-BUTANE-1,4-DIONE

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1,4-BIS-[5-(TRIFLUOROMETHYL)-5-HYDROXY-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-BUTANE-1,4-DIONE
SpectraBase Compound ID GNnbzYRgECh
InChI InChI=1S/C24H20F6N4O4/c25-23(26,27)21(37)13-17(15-7-3-1-4-8-15)31-33(21)19(35)11-12-20(36)34-22(38,24(28,29)30)14-18(32-34)16-9-5-2-6-10-16/h1-10,37-38H,11-14H2
InChIKey FFHZDOXHWGUDTJ-UHFFFAOYSA-N
Mol Weight 542.44 g/mol
Molecular Formula C24H20F6N4O4
Exact Mass 542.138874 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IhePfbZArM3
Name 1,4-BIS-[5-(TRIFLUOROMETHYL)-5-HYDROXY-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-BUTANE-1,4-DIONE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H20F6N4O4
InChI InChI=1S/C24H20F6N4O4/c25-23(26,27)21(37)13-17(15-7-3-1-4-8-15)31-33(21)19(35)11-12-20(36)34-22(38,24(28,29)30)14-18(32-34)16-9-5-2-6-10-16/h1-10,37-38H,11-14H2
InChIKey FFHZDOXHWGUDTJ-UHFFFAOYSA-N
Literature Reference Author H.G.BONACORSO,C.A.CECHINEL,E.P.PITTALUGA,A.FERLA,L.M.F.PORTE ,M.A.P.MARTINS
Literature Reference Citation J.BRAZ.CHEM.SOC.,21,1656(2010)
Literature Reference DOI 10.1590/s0103-50532010000900009
Molecular Weight 542.438 g/mol
Source File Reference UWBT5962