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1,4-BIS-[5-(TRIFLUOROMETHYL)-5-HYDROXY-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-BUTANE-1,4-DIONE
SpectraBase Compound ID 7zXvZw6aiAM
InChI InChI=1S/C12H12F6N4O4/c13-11(14,15)9(25)3-5-19-21(9)7(23)1-2-8(24)22-10(26,4-6-20-22)12(16,17)18/h5-6,25-26H,1-4H2
InChIKey FOCBOSMMTNQZEJ-UHFFFAOYSA-N
Mol Weight 390.24 g/mol
Molecular Formula C12H12F6N4O4
Exact Mass 390.076274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JBGGVN740rb
Name 1,4-BIS-[5-(TRIFLUOROMETHYL)-5-HYDROXY-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-BUTANE-1,4-DIONE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12F6N4O4
InChI InChI=1S/C12H12F6N4O4/c13-11(14,15)9(25)3-5-19-21(9)7(23)1-2-8(24)22-10(26,4-6-20-22)12(16,17)18/h5-6,25-26H,1-4H2
InChIKey FOCBOSMMTNQZEJ-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 390.242 g/mol
Source File Reference UWBT5960