| SpectraBase Spectrum ID |
KFVVgmzzaQK |
| Name |
(2R,3R)-1-Methyl-3-(morpholine-4-carbonyl)-5-oxo-2-phenylpyrrolidine-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.142641481 u |
| Formula |
C17H19N3O3 |
| InChI |
InChI=1S/C17H19N3O3/c1-19-14(21)11-17(12-18,15(19)13-5-3-2-4-6-13)16(22)20-7-9-23-10-8-20/h2-6,15H,7-11H2,1H3/t15-,17+/m1/s1 |
| InChIKey |
ZZHHAVULRHFGAP-WBVHZDCISA-N |
| SMILES |
[C@]1(N(C(C[C@@]1(C#N)C(=O)N1CCOCC1)=O)C)(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945939 |
