| SpectraBase Spectrum ID |
3J31ObXmDyN |
| Name |
1-(2-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (2-chloro-phenyl)-amide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.072783560 u |
| Formula |
C17H14ClFN2O2 |
| InChI |
InChI=1S/C17H14ClFN2O2/c18-12-5-1-3-7-14(12)20-17(23)11-9-16(22)21(10-11)15-8-4-2-6-13(15)19/h1-8,11H,9-10H2,(H,20,23) |
| InChIKey |
ZRBPKCQAQMWXKY-UHFFFAOYSA-N |
| Molecular Weight |
332.762 g/mol |
| SMILES |
C1=CC=C(N2C(CC(C2)C(NC=2C(=CC=CC2)Cl)=O)=O)C(=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894984 |
