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(E)-(7RS,8RS)-(+/-)-2-DIETHYLAMINO-1-(5-DIMETHYLAMINO-7,8-DIPHENYL-2-AZABICYCLO-[3.2.2]-NON-2-YL)-ETHANONE
SpectraBase Compound ID Bug9aHCOTK7
InChI InChI=1S/2C28H39N3O/c2*1-5-30(6-2)21-26(32)31-18-17-28(29(3)4)19-24(22-13-9-7-10-14-22)27(31)25(20-28)23-15-11-8-12-16-23/h2*7-16,24-25,27H,5-6,17-21H2,1-4H3/t2*24-,25+,27-,28-
InChIKey QTHJJZJZJYZGSU-BHTFQBLCSA-N
Mol Weight 867.3 g/mol
Molecular Formula C56H78N6O2
Exact Mass 866.618626 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2py3vmq9bN7
Name (E)-(7RS,8RS)-(+/-)-2-DIETHYLAMINO-1-(5-DIMETHYLAMINO-7,8-DIPHENYL-2-AZABICYCLO-[3.2.2]-NON-2-YL)-ETHANONE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H78N6O2
InChI InChI=1S/2C28H39N3O/c2*1-5-30(6-2)21-26(32)31-18-17-28(29(3)4)19-24(22-13-9-7-10-14-22)27(31)25(20-28)23-15-11-8-12-16-23/h2*7-16,24-25,27H,5-6,17-21H2,1-4H3/t2*24-,25+,27-,28-
InChIKey QTHJJZJZJYZGSU-BHTFQBLCSA-N
Literature Reference Author R.WEIS,M.KAISER,R.BRUN,R.SAF,W.SEEBACHER
Literature Reference Citation MH.CHEM.,139,717(2008)
Literature Reference DOI 10.1007/s00706-007-0815-y
Molecular Weight 867.274 g/mol
Sample ID 39787
Solvent CDCl3