| SpectraBase Spectrum ID |
7awPhOd1Y88 |
| Name |
(2R,3R)-3-Cyano-N-(2-methoxyethyl)-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 |
301.142641481 u |
| Formula |
C16H19N3O3 |
| InChI |
InChI=1S/C16H19N3O3/c1-19-13(20)10-16(11-17,15(21)18-8-9-22-2)14(19)12-6-4-3-5-7-12/h3-7,14H,8-10H2,1-2H3,(H,18,21)/t14-,16+/m1/s1 |
| InChIKey |
QKHRWRLODVFTGX-ZBFHGGJFSA-N |
| SMILES |
[C@]1(N(C(C[C@]1(C(=O)NCCOC)C#N)=O)C)(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976861 |
