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1,4-BIS-[3-(FUR-2-YL)-5-(TRIFLUOROMETHYL)-5-HYDROXY-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-BUTANE-1,4-DIONE

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1,4-BIS-[3-(FUR-2-YL)-5-(TRIFLUOROMETHYL)-5-HYDROXY-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-BUTANE-1,4-DIONE
SpectraBase Compound ID 3F3wCHOaMW7
InChI InChI=1S/C20H16F6N4O6/c21-19(22,23)17(33)9-11(13-3-1-7-35-13)27-29(17)15(31)5-6-16(32)30-18(34,20(24,25)26)10-12(28-30)14-4-2-8-36-14/h1-4,7-8,33-34H,5-6,9-10H2
InChIKey CZZNRMJFDJULEE-UHFFFAOYSA-N
Mol Weight 522.36 g/mol
Molecular Formula C20H16F6N4O6
Exact Mass 522.097403 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B7d5YO9fBOw
Name 1,4-BIS-[3-(FUR-2-YL)-5-(TRIFLUOROMETHYL)-5-HYDROXY-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-BUTANE-1,4-DIONE
Compound Number 2I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16F6N4O6
InChI InChI=1S/C20H16F6N4O6/c21-19(22,23)17(33)9-11(13-3-1-7-35-13)27-29(17)15(31)5-6-16(32)30-18(34,20(24,25)26)10-12(28-30)14-4-2-8-36-14/h1-4,7-8,33-34H,5-6,9-10H2
InChIKey CZZNRMJFDJULEE-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 522.361 g/mol
Source File Reference UWBT5967