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(+/-)-(3R,4S)-4-(1,3-BENZODIOXOL-5-YL)-1-METHYL-3-[(3-PHENYL-UREIDO)-METHYL]-1-METHYL-PYRROLIDINE-3-CARBOXYLIC-ACID
SpectraBase Compound ID 6wFlW0XapRe
InChI InChI=1S/C21H23N3O5/c1-24-10-16(14-7-8-17-18(9-14)29-13-28-17)21(12-24,19(25)26)11-22-20(27)23-15-5-3-2-4-6-15/h2-9,16H,10-13H2,1H3,(H,25,26)(H2,22,23,27)/t16-,21+/m0/s1
InChIKey OYUMZMWKONYABE-HRAATJIYSA-N
Mol Weight 397.43 g/mol
Molecular Formula C21H23N3O5
Exact Mass 397.163771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9gAdjsag18q
Name (+/-)-(3R,4S)-4-(1,3-BENZODIOXOL-5-YL)-1-METHYL-3-[(3-PHENYL-UREIDO)-METHYL]-1-METHYL-PYRROLIDINE-3-CARBOXYLIC-ACID
Compound Number 14[4,4]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23N3O5
InChI InChI=1S/C21H23N3O5/c1-24-10-16(14-7-8-17-18(9-14)29-13-28-17)21(12-24,19(25)26)11-22-20(27)23-15-5-3-2-4-6-15/h2-9,16H,10-13H2,1H3,(H,25,26)(H2,22,23,27)/t16-,21+/m0/s1
InChIKey OYUMZMWKONYABE-HRAATJIYSA-N
Literature Reference Author D.BLANCO-ANIA,C.VALDERAS-CORTINA,P.H.H.HERMKENS,L.A.J.M.SLIE DREGT,H.W.SCHEEREN,F
Literature Reference Citation MOLECULES,15,2269(2010)
Literature Reference DOI 10.3390/molecules15042269
Molecular Weight 397.431 g/mol
Sample ID 70238
Solvent DMSO-D6