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

View entire compound with spectra: 2 MS (GC)

Methyl (2R*,3S*,5R*)-1-(tert-butoxycarbonyl)-3,5-bis-[[4-(4-hydroxymethyl)phenyl]-1H-1,2,3-triazol-1-yl-methyl]pyrrolidine-2-carboxylate
SpectraBase Compound ID 8N8ASPx14ev
InChI InChI=1S/C31H37N7O6/c1-31(2,3)44-30(42)38-25(15-37-17-27(33-35-37)23-11-7-21(19-40)8-12-23)13-24(28(38)29(41)43-4)14-36-16-26(32-34-36)22-9-5-20(18-39)6-10-22/h5-12,16-17,24-25,28,39-40H,13-15,18-19H2,1-4H3/t24-,25+,28+/m0/s1
InChIKey JSJAOIQHOXEKPL-BXTSTYNKSA-N
Mol Weight 603.7 g/mol
Molecular Formula C31H37N7O6
Exact Mass 603.280532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90vW3jfQKe7
Name Methyl (2R*,3S*,5R*)-1-(tert-butoxycarbonyl)-3,5-bis-[[4-(4-hydroxymethyl)phenyl]-1H-1,2,3-triazol-1-yl-methyl]pyrrolidine-2-carboxylate
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Formula C31H37N7O6
InChI InChI=1S/C31H37N7O6/c1-31(2,3)44-30(42)38-25(15-37-17-27(33-35-37)23-11-7-21(19-40)8-12-23)13-24(28(38)29(41)43-4)14-36-16-26(32-34-36)22-9-5-20(18-39)6-10-22/h5-12,16-17,24-25,28,39-40H,13-15,18-19H2,1-4H3/t24-,25+,28+/m0/s1
InChIKey JSJAOIQHOXEKPL-BXTSTYNKSA-N
Molecular Weight 603.680 g/mol
SMILES OCc1ccc(-c2nn[n](C[C@@]3(N([C@]([C@](C[n]4cc(-c5ccc(CO)cc5)nn4)(C3)[H])(C(=O)OC)[H])C(OC(C)(C)C)=O)[H])c2)cc1
SPLASH splash10-0udr-0930001000-09f79bd3fc54b664e71f
Source of Spectrum F-66-6803-12b
Synonyms Methyl (2R*,3S*,5R*)-1-(tert-butoxycarbonyl)-3,5-bis-[[4-(4-hydroxymethyl)phenyl]-1H-1,2,3-triazol-1-ylmethyl]pyrrolidine-2-carboxylate
Wiley ID 1684346