| SpectraBase Spectrum ID |
DtizZcEK3dN |
| Name |
Dimethyl 2-methyl-C-5-(3'-pyridyl)pyrrolidine-R-2,C-4-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.126657064 u |
| Formula |
C14H18N2O4 |
| InChI |
InChI=1S/C14H18N2O4/c1-14(13(18)20-3)7-10(12(17)19-2)11(16-14)9-5-4-6-15-8-9/h4-6,8,10-11,16H,7H2,1-3H3/t10-,11-,14-/m0/s1 |
| InChIKey |
OGSDACGEQCAQEV-MJVIPROJSA-N |
| SMILES |
[C@@]1([C@@](N[C@@](C1)(C(=O)OC)C)(C=1C=NC=CC1)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859978 |
