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1-(2-HYDROXY-3-(TERT.-BUTYLAMINO)-PROPYL)-5-METHYL-2-PHENYL-4-(2-THIENOYL)-1,2-DIHYDRO-PYRAZOL-3-ONE
SpectraBase Compound ID FnVVgwe2pdh
InChI InChI=1S/C22H27N3O3S/c1-15-19(20(27)18-11-8-12-29-18)21(28)25(16-9-6-5-7-10-16)24(15)14-17(26)13-23-22(2,3)4/h5-12,17,23,26H,13-14H2,1-4H3
InChIKey IGJVDTYLWBJYDF-UHFFFAOYSA-N
Mol Weight 413.54 g/mol
Molecular Formula C22H27N3O3S
Exact Mass 413.177313 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5rEmARTFOm6
Name 1-(2-HYDROXY-3-(TERT.-BUTYLAMINO)-PROPYL)-5-METHYL-2-PHENYL-4-(2-THIENOYL)-1,2-DIHYDRO-PYRAZOL-3-ONE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27N3O3S
InChI InChI=1S/C22H27N3O3S/c1-15-19(20(27)18-11-8-12-29-18)21(28)25(16-9-6-5-7-10-16)24(15)14-17(26)13-23-22(2,3)4/h5-12,17,23,26H,13-14H2,1-4H3
InChIKey IGJVDTYLWBJYDF-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 413.535 g/mol
Solvent CDCl3
Source File Reference UWCP3855