| SpectraBase Spectrum ID |
9bkqiRLN0Hm |
| Name |
(2R,3R)-1-Methyl-5-oxo-2-phenyl-3-(pyrrolidine-1-carbonyl)pyrrolidine-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.147726862 u |
| Formula |
C17H19N3O2 |
| InChI |
InChI=1S/C17H19N3O2/c1-19-14(21)11-17(12-18,16(22)20-9-5-6-10-20)15(19)13-7-3-2-4-8-13/h2-4,7-8,15H,5-6,9-11H2,1H3/t15-,17+/m1/s1 |
| InChIKey |
KGPDQGQYBMMQJM-WBVHZDCISA-N |
| SMILES |
[C@]1(N(C(C[C@@]1(C#N)C(=O)N1CCCC1)=O)C)(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955023 |
