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

View entire compound with spectra: 3 NMR

(+)-TERT.-BUTYL-(R)-4-[2-(3,4-DICHLOROPHENYL)-ACETYL]-3-[(S)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZINE-1-CARBOXYLATE;MAJOR-ROTAMER
SpectraBase Compound ID GwvqbjeABKd
InChI InChI=1S/C23H33Cl2N3O3/c1-16(26-9-5-6-10-26)20-15-27(22(30)31-23(2,3)4)11-12-28(20)21(29)14-17-7-8-18(24)19(25)13-17/h7-8,13,16,20H,5-6,9-12,14-15H2,1-4H3/t16-,20-/m0/s1
InChIKey NFYHRIITTGWAQV-JXFKEZNVSA-N
Mol Weight 470.4 g/mol
Molecular Formula C23H33Cl2N3O3
Exact Mass 469.189897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6QmwwXo1lpa
Name (+)-TERT.-BUTYL-(R)-4-[2-(3,4-DICHLOROPHENYL)-ACETYL]-3-[(S)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZINE-1-CARBOXYLATE
Compound Number (R,S)-11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H33Cl2N3O3
InChI InChI=1S/C23H33Cl2N3O3/c1-16(26-9-5-6-10-26)20-15-27(22(30)31-23(2,3)4)11-12-28(20)21(29)14-17-7-8-18(24)19(25)13-17/h7-8,13,16,20H,5-6,9-12,14-15H2,1-4H3/t16-,20-/m0/s1
InChIKey NFYHRIITTGWAQV-JXFKEZNVSA-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 470.439 g/mol
Sample ID 45001
Solvent NAOD:D2O=1:20