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1,4-BIS-[5-(TRIFLUOROMETHYL)-5-HYDROXY-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-BUTANE-1,4-DIONE
SpectraBase Compound ID 9eAypaErl6L
InChI InChI=1S/C14H16F6N4O4/c1-7-5-11(27,13(15,16)17)23(21-7)9(25)3-4-10(26)24-12(28,14(18,19)20)6-8(2)22-24/h27-28H,3-6H2,1-2H3
InChIKey ZAGYSSOGCFTQSG-UHFFFAOYSA-N
Mol Weight 418.3 g/mol
Molecular Formula C14H16F6N4O4
Exact Mass 418.107574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6Gbr5EgJTf
Name 1,4-BIS-[5-(TRIFLUOROMETHYL)-5-HYDROXY-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-BUTANE-1,4-DIONE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16F6N4O4
InChI InChI=1S/C14H16F6N4O4/c1-7-5-11(27,13(15,16)17)23(21-7)9(25)3-4-10(26)24-12(28,14(18,19)20)6-8(2)22-24/h27-28H,3-6H2,1-2H3
InChIKey ZAGYSSOGCFTQSG-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 418.296 g/mol
Source File Reference UWBT5961