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4-BENZOYL-1-[2-HYDROXY-3-(4-ORTHO-TOLYLPIPERAZIN-1-YL)-PROPYL]-5-METHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE
SpectraBase Compound ID 7TQrV79chl0
InChI InChI=1S/C31H34N4O3/c1-23-11-9-10-16-28(23)33-19-17-32(18-20-33)21-27(36)22-34-24(2)29(30(37)25-12-5-3-6-13-25)31(38)35(34)26-14-7-4-8-15-26/h3-16,27,36H,17-22H2,1-2H3
InChIKey VMAGTGDEAZSKOW-UHFFFAOYSA-N
Mol Weight 510.6 g/mol
Molecular Formula C31H34N4O3
Exact Mass 510.263091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C2bkZWS7qVO
Name 4-BENZOYL-1-[2-HYDROXY-3-(4-ORTHO-TOLYLPIPERAZIN-1-YL)-PROPYL]-5-METHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H34N4O3
InChI InChI=1S/C31H34N4O3/c1-23-11-9-10-16-28(23)33-19-17-32(18-20-33)21-27(36)22-34-24(2)29(30(37)25-12-5-3-6-13-25)31(38)35(34)26-14-7-4-8-15-26/h3-16,27,36H,17-22H2,1-2H3
InChIKey VMAGTGDEAZSKOW-UHFFFAOYSA-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 510.636 g/mol
Solvent CDCl3
Source File Reference UWCP3860