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1-PHENYL-3-TRIFLUOROMETHYL-4-(1-ACETYL-2-PHENYL-3-METHYLPYRAZOLIDIN-5-YL)-PYRAZOL-5-ONE
SpectraBase Compound ID 90701PvgvPV
InChI InChI=1S/C22H21F3N4O2/c1-14-13-18(29(15(2)30)28(14)17-11-7-4-8-12-17)19-20(22(23,24)25)26-27(21(19)31)16-9-5-3-6-10-16/h3-12,14,18,31H,13H2,1-2H3/t14-,18+/m0/s1
InChIKey SCYFEWBDXBSALF-KBXCAEBGSA-N
Mol Weight 430.43 g/mol
Molecular Formula C22H21F3N4O2
Exact Mass 430.16166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9pICgY4G4tC
Name 1-PHENYL-3-TRIFLUOROMETHYL-4-(1-ACETYL-2-PHENYL-3-METHYLPYRAZOLIDIN-5-YL)-PYRAZOL-5-ONE
Compound Number IV
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21F3N4O2
InChI InChI=1S/C22H21F3N4O2/c1-14-13-18(29(15(2)30)28(14)17-11-7-4-8-12-17)19-20(22(23,24)25)26-27(21(19)31)16-9-5-3-6-10-16/h3-12,14,18,31H,13H2,1-2H3/t14-,18+/m0/s1
InChIKey SCYFEWBDXBSALF-KBXCAEBGSA-N
Literature Reference Author L.A.SVIRIDOVA,G.A.GOLUBEVA,I.V.DLINNYKH,I.F.LESHCHEVA,L.D.AS HKINADZE,V.V.NESTERO
Literature Reference Citation CHEM.HET.COMP.,34,929(1998)
Literature Reference DOI 10.1007/bf02311329
Molecular Weight 430.430 g/mol
Solvent CDCl3
Source File Reference UWMZ14604