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5-METHYL-2-PHENYL-4-[(Z)-PHENYL-(4-ORTHO-TOLYLPIPERAZIN-1-YL)-METHYLENE]-2,4-DIHYDROPYRAZOL-3-ONE
SpectraBase Compound ID 9tcFwnxabok
InChI InChI=1S/C28H28N4O/c1-21-11-9-10-16-25(21)30-17-19-31(20-18-30)27(23-12-5-3-6-13-23)26-22(2)29-32(28(26)33)24-14-7-4-8-15-24/h3-16H,17-20H2,1-2H3/b27-26+
InChIKey BZKVKMVLJFZIQQ-CYYJNZCTSA-N
Mol Weight 436.56 g/mol
Molecular Formula C28H28N4O
Exact Mass 436.226312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J5WfXYbMmT1
Name 5-METHYL-2-PHENYL-4-[(Z)-PHENYL-(4-ORTHO-TOLYLPIPERAZIN-1-YL)-METHYLENE]-2,4-DIHYDROPYRAZOL-3-ONE
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H28N4O
InChI InChI=1S/C28H28N4O/c1-21-11-9-10-16-25(21)30-17-19-31(20-18-30)27(23-12-5-3-6-13-23)26-22(2)29-32(28(26)33)24-14-7-4-8-15-24/h3-16H,17-20H2,1-2H3/b27-26+
InChIKey BZKVKMVLJFZIQQ-CYYJNZCTSA-N
Literature Reference Author P.CHIBA,W.HOLZER,M.LANDAU,G.BECHMANN,K.LORENZ,B.PLAGENS,M.HI TZLER,E.RICHTER,G.EC
Literature Reference Citation J.MED.CHEM.,41,4001(1998)
Literature Reference DOI 10.1021/jm980121y
Molecular Weight 436.557 g/mol
Solvent CDCl3
Source File Reference UWCP3867