| SpectraBase Spectrum ID |
5LkdriqITJv |
| Name |
1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid [2-(4-chloro-phenoxy)-ethyl]-amide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.098998308 u |
| Formula |
C19H18ClFN2O3 |
| InChI |
InChI=1S/C19H18ClFN2O3/c20-14-1-7-17(8-2-14)26-10-9-22-19(25)13-11-18(24)23(12-13)16-5-3-15(21)4-6-16/h1-8,13H,9-12H2,(H,22,25) |
| InChIKey |
NXBNLKYNDCUYJQ-UHFFFAOYSA-N |
| Molecular Weight |
376.815 g/mol |
| SMILES |
C(OC=1C=CC(Cl)=CC1)CNC(C1CC(N(C1)C1=CC=C(C=C1)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924581 |