For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl(+/-)-(2R*,3S*,5R*)-5-(hydroxymethyl)-3-[[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]methyl]pyrrolidine-2-carboxylate
SpectraBase Compound ID DEZ8ZZfImvw
InChI InChI=1S/C17H22N4O3/c1-11-3-5-12(6-4-11)15-9-21(20-19-15)8-13-7-14(10-22)18-16(13)17(23)24-2/h3-6,9,13-14,16,18,22H,7-8,10H2,1-2H3/t13-,14+,16+/m0/s1
InChIKey ZLWNJZLFAIRQPK-SQWLQELKSA-N
Mol Weight 330.39 g/mol
Molecular Formula C17H22N4O3
Exact Mass 330.169191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID qlZTh9GVYg
Name Methyl(+/-)-(2R*,3S*,5R*)-5-(hydroxymethyl)-3-[[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]methyl]pyrrolidine-2-carboxylate
Alternate Name(s) Methyl (2R,3S,5R)-5-(hydroxymethyl)-3-((4-(p-tolyl)-1H-1,2,3-triazol-1-yl)methyl)pyrrolidine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N4O3
InChI InChI=1S/C17H22N4O3/c1-11-3-5-12(6-4-11)15-9-21(20-19-15)8-13-7-14(10-22)18-16(13)17(23)24-2/h3-6,9,13-14,16,18,22H,7-8,10H2,1-2H3/t13-,14+,16+/m0/s1
InChIKey ZLWNJZLFAIRQPK-SQWLQELKSA-N
Literature Reference DOI 10.1016/j.ejmech.2015.05.029
Molecular Weight 330.388 g/mol
SMILES N1[C@@](CO)(C[C@@](C[n]2nnc(-c3ccc(cc3)C)c2)([C@@]1(C(=O)OC)[H])[H])[H]
SPLASH splash10-022c-0911000000-fa4639181ac8816d2eed
Source of Spectrum EMC-98-219-(+/_)_19
Wiley ID 1782896