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(+)-2-(3,4-DICHLOROPHENYL)-1-[(R)-4-PHENYL-2-[(S)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZIN-1-YL]-ETHAN-1-ONE;MAJOR-ROTAMER
SpectraBase Compound ID 11pLmePq2WJ
InChI InChI=1S/C24H29Cl2N3O/c1-18(27-11-5-6-12-27)23-17-28(20-7-3-2-4-8-20)13-14-29(23)24(30)16-19-9-10-21(25)22(26)15-19/h2-4,7-10,15,18,23H,5-6,11-14,16-17H2,1H3/t18-,23-/m0/s1
InChIKey OYRXYIUNONBFEX-MBSDFSHPSA-N
Mol Weight 446.42 g/mol
Molecular Formula C24H29Cl2N3O
Exact Mass 445.168768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zbHTxxgeTR
Name (+)-2-(3,4-DICHLOROPHENYL)-1-[(R)-4-PHENYL-2-[(S)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZIN-1-YL]-ETHAN-1-ONE;MAJOR-ROTAMER
Compound Number (R,S)-23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H29Cl2N3O
InChI InChI=1S/C24H29Cl2N3O/c1-18(27-11-5-6-12-27)23-17-28(20-7-3-2-4-8-20)13-14-29(23)24(30)16-19-9-10-21(25)22(26)15-19/h2-4,7-10,15,18,23H,5-6,11-14,16-17H2,1H3/t18-,23-/m0/s1
InChIKey OYRXYIUNONBFEX-MBSDFSHPSA-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 446.420 g/mol
Sample ID 45019
Solvent C6D5NO2