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Methyl(+/-)-(2R*,3S*,5R*)-1-(tert-butoxycarbonyl)-5-(hydroxymethyl)-3-[[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]methyl]pyrrolidine-2-carboxylate

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Methyl(+/-)-(2R*,3S*,5R*)-1-(tert-butoxycarbonyl)-5-(hydroxymethyl)-3-[[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]methyl]pyrrolidine-2-carboxylate
SpectraBase Compound ID HANAgWs6l76
InChI InChI=1S/C22H30N4O5/c1-14-6-8-15(9-7-14)18-12-25(24-23-18)11-16-10-17(13-27)26(19(16)20(28)30-5)21(29)31-22(2,3)4/h6-9,12,16-17,19,27H,10-11,13H2,1-5H3/t16-,17+,19+/m0/s1
InChIKey RVVBZKPYBBVYMC-YQVWRLOYSA-N
Mol Weight 430.51 g/mol
Molecular Formula C22H30N4O5
Exact Mass 430.22162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1J45KvTaGe
Name Methyl(+/-)-(2R*,3S*,5R*)-1-(tert-butoxycarbonyl)-5-(hydroxymethyl)-3-[[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]methyl]pyrrolidine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30N4O5
InChI InChI=1S/C22H30N4O5/c1-14-6-8-15(9-7-14)18-12-25(24-23-18)11-16-10-17(13-27)26(19(16)20(28)30-5)21(29)31-22(2,3)4/h6-9,12,16-17,19,27H,10-11,13H2,1-5H3/t16-,17+,19+/m0/s1
InChIKey RVVBZKPYBBVYMC-YQVWRLOYSA-N
Literature Reference DOI 10.1016/j.ejmech.2015.05.029
Molecular Weight 430.505 g/mol
SMILES OC[C@@]1(N(C(OC(C)(C)C)=O)[C@]([C@](C[n]2nnc(c2)-c2ccc(cc2)C)(C1)[H])(C(=O)OC)[H])[H]
SPLASH splash10-0c0v-4934000000-3010efe9b0b36fa03c2f
Source of Spectrum EMC-98-216-(+/_)_4
Synonyms 1-(tert-butyl) 2-methyl (2R,3S,5R)-5-(hydroxymethyl)-3-((4-(p-tolyl)-1H-1,2,3-triazol-1-yl)methyl)pyrrolidine-1,2-dicarboxylate
Wiley ID 1782898