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Methyl(+/-)-(2R*,3S*,5R*)-1-(tert-butoxycarbonyl)-5-(hydroxymethyl-3-[[4-(2-methoxyphenyl)-1H-1,2,3-triazol-1-yl]methyl]pyrrolidine-2-carboxylate
SpectraBase Compound ID D4OVxCIkEPc
InChI InChI=1S/C22H30N4O6/c1-22(2,3)32-21(29)26-15(13-27)10-14(19(26)20(28)31-5)11-25-12-17(23-24-25)16-8-6-7-9-18(16)30-4/h6-9,12,14-15,19,27H,10-11,13H2,1-5H3/t14-,15+,19+/m0/s1
InChIKey JOSCFFRLDSGWAM-QMTMVMCOSA-N
Mol Weight 446.5 g/mol
Molecular Formula C22H30N4O6
Exact Mass 446.216535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lZ8gIjGqm
Name Methyl(+/-)-(2R*,3S*,5R*)-1-(tert-butoxycarbonyl)-5-(hydroxymethyl-3-[[4-(2-methoxyphenyl)-1H-1,2,3-triazol-1-yl]methyl]pyrrolidine-2-carboxylate
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Formula C22H30N4O6
InChI InChI=1S/C22H30N4O6/c1-22(2,3)32-21(29)26-15(13-27)10-14(19(26)20(28)31-5)11-25-12-17(23-24-25)16-8-6-7-9-18(16)30-4/h6-9,12,14-15,19,27H,10-11,13H2,1-5H3/t14-,15+,19+/m0/s1
InChIKey JOSCFFRLDSGWAM-QMTMVMCOSA-N
Literature Reference DOI 10.1016/j.ejmech.2015.05.029
Molecular Weight 446.504 g/mol
SMILES OC[C@@]1(N(C(OC(C)(C)C)=O)[C@]([C@](C[n]2nnc(c2)-c2c(OC)cccc2)(C1)[H])(C(=O)OC)[H])[H]
SPLASH splash10-0002-4729700000-ef7db8a0786682e8f3d8
Source of Spectrum EMC-98-217-(+/_)_8
Synonyms 1-(tert-butyl) 2-methyl (2R,3S,5R)-5-(hydroxymethyl)-3-((4-(2-methoxyphenyl)-1H-1,2,3-triazol-1-yl)methyl)pyrrolidine-1,2-dicarboxylate
Wiley ID 1782901