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N-[(1S)-1-(benzyloxymethyl)-2-keto-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]ethyl]carbamic acid tert-butyl ester
SpectraBase Compound ID EU6Cjq2od47
InChI InChI=1S/C21H31N3O5/c1-21(2,3)29-20(27)23-16(14-28-13-15-9-6-5-7-10-15)19(26)24-12-8-11-17(24)18(25)22-4/h5-7,9-10,16-17H,8,11-14H2,1-4H3,(H,22,25)(H,23,27)/t16-,17-/m0/s1
InChIKey YWPCMVBNNHRAPH-IRXDYDNUSA-N
Mol Weight 405.5 g/mol
Molecular Formula C21H31N3O5
Exact Mass 405.226371 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5LQMbVW6X8m
Name N-[(1S)-1-(benzyloxymethyl)-2-keto-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]ethyl]carbamic acid tert-butyl ester
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31N3O5
InChI InChI=1S/C21H31N3O5/c1-21(2,3)29-20(27)23-16(14-28-13-15-9-6-5-7-10-15)19(26)24-12-8-11-17(24)18(25)22-4/h5-7,9-10,16-17H,8,11-14H2,1-4H3,(H,22,25)(H,23,27)/t16-,17-/m0/s1
InChIKey YWPCMVBNNHRAPH-IRXDYDNUSA-N
Literature Reference Author A.AVENOZA,J.H.BUSTO,J.M.PEREGRINA,F.RODRIGUEZ
Literature Reference Citation J.ORG.CHEM.,67,4241(2002)
Literature Reference DOI 10.1021/jo016406r
Molecular Weight 405.494 g/mol
Solvent CDCl3
Source File Reference UWVN23065