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(+)-METHYL-(R)-4-[2-(3,4-DICHLOROPHENYL)-ACETYL]-3-[(S)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZINE-1-CARBOXYLATE;MAJOR-ROTAMER

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(+)-METHYL-(R)-4-[2-(3,4-DICHLOROPHENYL)-ACETYL]-3-[(S)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZINE-1-CARBOXYLATE;MAJOR-ROTAMER
SpectraBase Compound ID KXzlMdItB0
InChI InChI=1S/C20H27Cl2N3O3/c1-14(23-7-3-4-8-23)18-13-24(20(27)28-2)9-10-25(18)19(26)12-15-5-6-16(21)17(22)11-15/h5-6,11,14,18H,3-4,7-10,12-13H2,1-2H3/t14-,18-/m0/s1
InChIKey ONEIDYFRAIKBGR-KSSFIOAISA-N
Mol Weight 428.36 g/mol
Molecular Formula C20H27Cl2N3O3
Exact Mass 427.142947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dfpxfyn58c2
Name (+)-METHYL-(R)-4-[2-(3,4-DICHLOROPHENYL)-ACETYL]-3-[(S)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZINE-1-CARBOXYLATE;MAJOR-ROTAMER
Compound Number (R,S)-14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H27Cl2N3O3
InChI InChI=1S/C20H27Cl2N3O3/c1-14(23-7-3-4-8-23)18-13-24(20(27)28-2)9-10-25(18)19(26)12-15-5-6-16(21)17(22)11-15/h5-6,11,14,18H,3-4,7-10,12-13H2,1-2H3/t14-,18-/m0/s1
InChIKey ONEIDYFRAIKBGR-KSSFIOAISA-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 428.359 g/mol
Sample ID 45010
Solvent C6D5NO2