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#20;N,N-(DI-BOC)-C9-NH2-C10-BIPIP-QCD;(1S,2R,4S,5S)-2-[5-[1,4']-BIPIPERIDINYL-1'-YL-METHYL-1-AZA-BICYCLO-[2.2.2]-OCT-2-YL-METHYL]-IMIDODICARBONIC-ACID-1
SpectraBase Compound ID J2NH31DbRF4
InChI InChI=1S/C29H52N4O4/c1-28(2,3)36-26(34)33(27(35)37-29(4,5)6)21-25-18-22-10-17-32(25)20-23(22)19-30-15-11-24(12-16-30)31-13-8-7-9-14-31/h22-25H,7-21H2,1-6H3/t22-,23+,25+/m0/s1
InChIKey OQQBFATZEDLREQ-JBRSBNLGSA-N
Mol Weight 520.8 g/mol
Molecular Formula C29H52N4O4
Exact Mass 520.398856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JKimXcuJq6s
Name #20;N,N-(DI-BOC)-C9-NH2-C10-BIPIP-QCD;(1S,2R,4S,5S)-2-[5-[1,4']-BIPIPERIDINYL-1'-YL-METHYL-1-AZA-BICYCLO-[2.2.2]-OCT-2-YL-METHYL]-IMIDODICARBONIC-ACID-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H52N4O4
InChI InChI=1S/C29H52N4O4/c1-28(2,3)36-26(34)33(27(35)37-29(4,5)6)21-25-18-22-10-17-32(25)20-23(22)19-30-15-11-24(12-16-30)31-13-8-7-9-14-31/h22-25H,7-21H2,1-6H3/t22-,23+,25+/m0/s1
InChIKey OQQBFATZEDLREQ-JBRSBNLGSA-N
Literature Reference Author I.NEDA,E.FODOR,C.V.MAFTERI,M.MIHORIANU,H.D.AMBROSI,M.H.FRANZ
Literature Reference Citation EUR.J.ORG.CHEM.,2013,7876(2013)
Literature Reference DOI 10.1002/ejoc.201301286
Molecular Weight 520.756 g/mol
Solvent CDCl3
Source File Reference UWBT18415