John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=B58SJzjpTg9 SpectraBase Spectrum ID=54tO3UFI4er

(accessed ).
#19;N,N-(DI-BOC)-C9-NH2-C10-BNMEN-QCI;(1S,2S,4S,5S)-2-[5-[(BENZYL-METHYL-AMINO)-METHYL]-1-AZA-BICYCLO-[2.2.2]-OCT-2-YL-METHYL]-IMIDODICARBONIC-ACID-1,3-
SpectraBase Compound ID B58SJzjpTg9
InChI InChI=1S/C27H43N3O4/c1-26(2,3)33-24(31)30(25(32)34-27(4,5)6)19-23-15-21-13-14-29(23)18-22(21)17-28(7)16-20-11-9-8-10-12-20/h8-12,21-23H,13-19H2,1-7H3/t21-,22+,23-/m0/s1
InChIKey CYPKOZRMVRMLLV-ZRBLBEILSA-N
Mol Weight 473.7 g/mol
Molecular Formula C27H43N3O4
Exact Mass 473.325357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 54tO3UFI4er
Name #19;N,N-(DI-BOC)-C9-NH2-C10-BNMEN-QCI;(1S,2S,4S,5S)-2-[5-[(BENZYL-METHYL-AMINO)-METHYL]-1-AZA-BICYCLO-[2.2.2]-OCT-2-YL-METHYL]-IMIDODICARBONIC-ACID-1,3-
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H43N3O4
InChI InChI=1S/C27H43N3O4/c1-26(2,3)33-24(31)30(25(32)34-27(4,5)6)19-23-15-21-13-14-29(23)18-22(21)17-28(7)16-20-11-9-8-10-12-20/h8-12,21-23H,13-19H2,1-7H3/t21-,22+,23-/m0/s1
InChIKey CYPKOZRMVRMLLV-ZRBLBEILSA-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 473.656 g/mol
Solvent CDCl3
Source File Reference UWBT18413
SpectraBase Batch ID 5HuPAfnmnow