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1-[2-HYDROXY-3-(4-ORTHO-TOLYLPIPERAZIN-1-YL)-PROPYL]-5-METHYL-2-PHENYL-4-(3-PHENYLPROPIONYL)-1,2-DIHYDRO-PYRAZOL-3-ONE
SpectraBase Compound ID EeVFNCXFemK
InChI InChI=1S/C33H38N4O3/c1-25-11-9-10-16-30(25)35-21-19-34(20-22-35)23-29(38)24-36-26(2)32(31(39)18-17-27-12-5-3-6-13-27)33(40)37(36)28-14-7-4-8-15-28/h3-16,29,38H,17-24H2,1-2H3
InChIKey FXCZRQUEINPDKX-UHFFFAOYSA-N
Mol Weight 538.7 g/mol
Molecular Formula C33H38N4O3
Exact Mass 538.294391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C8uW1AK9gXK
Name 1-[2-HYDROXY-3-(4-ORTHO-TOLYLPIPERAZIN-1-YL)-PROPYL]-5-METHYL-2-PHENYL-4-(3-PHENYLPROPIONYL)-1,2-DIHYDRO-PYRAZOL-3-ONE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H38N4O3
InChI InChI=1S/C33H38N4O3/c1-25-11-9-10-16-30(25)35-21-19-34(20-22-35)23-29(38)24-36-26(2)32(31(39)18-17-27-12-5-3-6-13-27)33(40)37(36)28-14-7-4-8-15-28/h3-16,29,38H,17-24H2,1-2H3
InChIKey FXCZRQUEINPDKX-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 538.690 g/mol
Solvent CDCl3
Source File Reference UWCP3861