| SpectraBase Spectrum ID |
AOgzQrq7wKN |
| Name |
(2R,3R)-3-Cyano-1-methyl-5-oxo-N-phenethyl-2-phenylpyrrolidine-3-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.163376926 u |
| Formula |
C21H21N3O2 |
| InChI |
InChI=1S/C21H21N3O2/c1-24-18(25)14-21(15-22,19(24)17-10-6-3-7-11-17)20(26)23-13-12-16-8-4-2-5-9-16/h2-11,19H,12-14H2,1H3,(H,23,26)/t19-,21+/m1/s1 |
| InChIKey |
WJHCFTLSGASIOS-CTNGQTDRSA-N |
| Molecular Weight |
347.418 g/mol |
| SMILES |
[C@]1(N(C(C[C@]1(C(=O)NCCC1=CC=CC=C1)C#N)=O)C)(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960988 |
