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(+)-1-[(R)-4-BUTYL-2-[(S)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZIN-1-YL]-2-(3,4-DICHLOROPHENYL)-ETHAN-1-ONE;MAJOR-ROTAMER
SpectraBase Compound ID Gd5PTecSlpA
InChI InChI=1S/C22H33Cl2N3O/c1-3-4-9-25-12-13-27(21(16-25)17(2)26-10-5-6-11-26)22(28)15-18-7-8-19(23)20(24)14-18/h7-8,14,17,21H,3-6,9-13,15-16H2,1-2H3/t17-,21-/m0/s1
InChIKey GXELPJLAYDYLJB-UWJYYQICSA-N
Mol Weight 426.4 g/mol
Molecular Formula C22H33Cl2N3O
Exact Mass 425.200068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Sxdg8Ou644
Name (+)-1-[(R)-4-BUTYL-2-[(S)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZIN-1-YL]-2-(3,4-DICHLOROPHENYL)-ETHAN-1-ONE;MAJOR-ROTAMER
Compound Number (R,S)-22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H33Cl2N3O
InChI InChI=1S/C22H33Cl2N3O/c1-3-4-9-25-12-13-27(21(16-25)17(2)26-10-5-6-11-26)22(28)15-18-7-8-19(23)20(24)14-18/h7-8,14,17,21H,3-6,9-13,15-16H2,1-2H3/t17-,21-/m0/s1
InChIKey GXELPJLAYDYLJB-UWJYYQICSA-N
Literature Reference Author S.SOUKARA,C.A.MAIER,U.PREDOIU,A.EHRET,R.JACKISCH,B.WUENSCH
Literature Reference Citation J.MED.CHEM.,44,2814(2001)
Literature Reference DOI 10.1021/jm0108395
Molecular Weight 426.430 g/mol
Sample ID 45016
Solvent C6D5NO2