| SpectraBase Spectrum ID |
1zqM83XrwLa |
| Name |
(3R,4R)-1,4-Dibenzyl-5-keto-pyrrolidine-3-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.152143537 u |
| Formula |
C20H21NO3 |
| InChI |
InChI=1S/C20H21NO3/c1-24-20(23)18-14-21(13-16-10-6-3-7-11-16)19(22)17(18)12-15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3/t17-,18+/m1/s1 |
| InChIKey |
CHAWBNMEAUGYJV-MSOLQXFVSA-N |
| Molecular Weight |
323.392 g/mol |
| SMILES |
C1(N(C[C@@]([C@]1(CC=1C=CC=CC1)[H])(C(=O)OC)[H])CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925624 |
