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(-)-1-[(R)-4-[2-(3,4-DICHLOROPHENYL)-ACETYL]-3-[(R)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZIN-1-YL]-PROPAN-1-ONE;MAJOR-ROTAMER

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(-)-1-[(R)-4-[2-(3,4-DICHLOROPHENYL)-ACETYL]-3-[(R)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZIN-1-YL]-PROPAN-1-ONE;MAJOR-ROTAMER
SpectraBase Compound ID ENj5EspJ8FW
InChI InChI=1S/C21H29Cl2N3O2/c1-3-20(27)25-10-11-26(19(14-25)15(2)24-8-4-5-9-24)21(28)13-16-6-7-17(22)18(23)12-16/h6-7,12,15,19H,3-5,8-11,13-14H2,1-2H3/t15-,19+/m1/s1
InChIKey MTYYYARFZLUVMG-BEFAXECRSA-N
Mol Weight 426.39 g/mol
Molecular Formula C21H29Cl2N3O2
Exact Mass 425.163683 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHd8c21BuYN
Name (-)-1-[(R)-4-[2-(3,4-DICHLOROPHENYL)-ACETYL]-3-[(R)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZIN-1-YL]-PROPAN-1-ONE;MAJOR-ROTAMER
Compound Number (R,R)-13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29Cl2N3O2
InChI InChI=1S/C21H29Cl2N3O2/c1-3-20(27)25-10-11-26(19(14-25)15(2)24-8-4-5-9-24)21(28)13-16-6-7-17(22)18(23)12-16/h6-7,12,15,19H,3-5,8-11,13-14H2,1-2H3/t15-,19+/m1/s1
InChIKey MTYYYARFZLUVMG-BEFAXECRSA-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 426.386 g/mol
Sample ID 45007
Solvent C6D5NO2