| SpectraBase Spectrum ID |
EoEPhKvOVn2 |
| Name |
(2R,3R)-N-Benzyl-3-cyano-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.147726862 u |
| Formula |
C20H19N3O2 |
| InChI |
InChI=1S/C20H19N3O2/c1-23-17(24)12-20(14-21,18(23)16-10-6-3-7-11-16)19(25)22-13-15-8-4-2-5-9-15/h2-11,18H,12-13H2,1H3,(H,22,25)/t18-,20+/m1/s1 |
| InChIKey |
OBHPTANUQXBDJR-QUCCMNQESA-N |
| Molecular Weight |
333.391 g/mol |
| SMILES |
[C@]1(N(C(C[C@]1(C(=O)NCC1=CC=CC=C1)C#N)=O)C)(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929523 |
