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

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1,4-BIS-[5-(TRIFLUOROMETHYL)-5-HYDROXY-3-(4-METHOXYPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-BUTANE-1,4-DIONE
SpectraBase Compound ID AiieAwOXuQ7
InChI InChI=1S/C26H24F6N4O6/c1-41-17-7-3-15(4-8-17)19-13-23(39,25(27,28)29)35(33-19)21(37)11-12-22(38)36-24(40,26(30,31)32)14-20(34-36)16-5-9-18(42-2)10-6-16/h3-10,39-40H,11-14H2,1-2H3
InChIKey QMGKSCXFLASENK-UHFFFAOYSA-N
Mol Weight 602.49 g/mol
Molecular Formula C26H24F6N4O6
Exact Mass 602.160003 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDjCPnDikFk
Name 1,4-BIS-[5-(TRIFLUOROMETHYL)-5-HYDROXY-3-(4-METHOXYPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-BUTANE-1,4-DIONE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H24F6N4O6
InChI InChI=1S/C26H24F6N4O6/c1-41-17-7-3-15(4-8-17)19-13-23(39,25(27,28)29)35(33-19)21(37)11-12-22(38)36-24(40,26(30,31)32)14-20(34-36)16-5-9-18(42-2)10-6-16/h3-10,39-40H,11-14H2,1-2H3
InChIKey QMGKSCXFLASENK-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 602.490 g/mol
Source File Reference UWBT5963