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3-(BIPHENYL-4-YL)-1-(4-FLUOROPHENYL)-1H-PYRAZOL-5(4H)-ONE
SpectraBase Compound ID 4kmhjakBxS6
InChI InChI=1S/2C21H15FN2O/c2*22-18-10-12-19(13-11-18)24-21(25)14-20(23-24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h2*1-14,25H
InChIKey VVGZHBPUJUODDJ-UHFFFAOYSA-N
Mol Weight 660.72 g/mol
Molecular Formula C42H30F2N4O2
Exact Mass 660.233683 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D8laP0HkCqa
Name 3-(BIPHENYL-4-YL)-1-(4-FLUOROPHENYL)-1H-PYRAZOL-5(4H)-ONE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H30F2N4O2
InChI InChI=1S/2C21H15FN2O/c2*22-18-10-12-19(13-11-18)24-21(25)14-20(23-24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h2*1-14,25H
InChIKey VVGZHBPUJUODDJ-UHFFFAOYSA-N
Literature Reference Author R.V.RAGAVAN,K.M.KUMAR,V.VIJAYAKUMAR,S.SARVESWARI,S.RAMAIAH,A .ANBARASU,S.KARTHIKE
Literature Reference Citation ORG.MED.CHEM.LETT.,3,6(2013)
Literature Reference DOI 10.1186/2191-2858-3-6
Molecular Weight 660.723 g/mol
Solvent DMSO-D6;0.05M
Source File Reference UWLU976332