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

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1,4-BIS-[5-(TRIFLUOROMETHYL)-5-HYDROXY-3-(4-FLUOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-BUTANE-1,4-DIONE
SpectraBase Compound ID 7ykgfQ0LV0O
InChI InChI=1S/C24H18F8N4O4/c25-15-5-1-13(2-6-15)17-11-21(39,23(27,28)29)35(33-17)19(37)9-10-20(38)36-22(40,24(30,31)32)12-18(34-36)14-3-7-16(26)8-4-14/h1-8,39-40H,9-12H2
InChIKey ZBRSOODNARJDBU-UHFFFAOYSA-N
Mol Weight 578.42 g/mol
Molecular Formula C24H18F8N4O4
Exact Mass 578.12003 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5h2DGEJU3RS
Name 1,4-BIS-[5-(TRIFLUOROMETHYL)-5-HYDROXY-3-(4-FLUOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-BUTANE-1,4-DIONE
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H18F8N4O4
InChI InChI=1S/C24H18F8N4O4/c25-15-5-1-13(2-6-15)17-11-21(39,23(27,28)29)35(33-17)19(37)9-10-20(38)36-22(40,24(30,31)32)12-18(34-36)14-3-7-16(26)8-4-14/h1-8,39-40H,9-12H2
InChIKey ZBRSOODNARJDBU-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 578.419 g/mol
Source File Reference UWBT5964