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#16J;(2S,3S)-1-[(2S,4R)-4-TERT.-BUTOXY-2-METHOXYMETHYL-PYRROLIDIN-1-YL]-2-[(E)-2-(3-METHOXYPHENYL)-ETHENYL]-4-METHYL-3-[3-(4-NITROPHENYL)-CARBONYLOXYPROPYL]-4-

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#16J;(2S,3S)-1-[(2S,4R)-4-TERT.-BUTOXY-2-METHOXYMETHYL-PYRROLIDIN-1-YL]-2-[(E)-2-(3-METHOXYPHENYL)-ETHENYL]-4-METHYL-3-[3-(4-NITROPHENYL)-CARBONYLOXYPROPYL]-4-
SpectraBase Compound ID 4h6l4z5fUF2
InChI InChI=1S/C35H46N2O8/c1-24(2)31(12-9-19-44-34(39)26-14-16-27(17-15-26)37(40)41)32(18-13-25-10-8-11-29(20-25)43-7)33(38)36-22-30(45-35(3,4)5)21-28(36)23-42-6/h8,10-11,13-18,20,28,30-32H,1,9,12,19,21-23H2,2-7H3/b18-13+/t28-,30+,31+,32-/m0/s1
InChIKey CRBNSIWSBPAITB-GOCQBOKLSA-N
Mol Weight 622.8 g/mol
Molecular Formula C35H46N2O8
Exact Mass 622.325416 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7OucibMPqa
Name #16J;(2S,3S)-1-[(2S,4R)-4-TERT.-BUTOXY-2-METHOXYMETHYL-PYRROLIDIN-1-YL]-2-[(E)-2-(3-METHOXYPHENYL)-ETHENYL]-4-METHYL-3-[3-(4-NITROPHENYL)-CARBONYLOXYPROPYL]-4-
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H46N2O8
InChI InChI=1S/C35H46N2O8/c1-24(2)31(12-9-19-44-34(39)26-14-16-27(17-15-26)37(40)41)32(18-13-25-10-8-11-29(20-25)43-7)33(38)36-22-30(45-35(3,4)5)21-28(36)23-42-6/h8,10-11,13-18,20,28,30-32H,1,9,12,19,21-23H2,2-7H3/b18-13+/t28-,30+,31+,32-/m0/s1
InChIKey CRBNSIWSBPAITB-GOCQBOKLSA-N
Literature Reference Author N.M.FRIEDEMANN,A.HAERTER,S.BRANDES,S.GROB,D.GERLACH,W.MUENCH ,D.SCHOLLMEYER,U.NUB
Literature Reference Citation EUR.J.ORG.CHEM.,2012,2346(2012)
Literature Reference DOI 10.1002/ejoc.201200073
Molecular Weight 622.759 g/mol
Solvent CDCl3
Source File Reference UWLU85201