| SpectraBase Spectrum ID |
4QGNgs5q7Jr |
| Name |
Pyrrolidine-3-carboxamide, 1-(2-fluorophenyl-N-(3-methylphenyl)-5-oxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.127405956 u |
| Formula |
C18H17FN2O2 |
| InChI |
InChI=1S/C18H17FN2O2/c1-12-5-4-6-14(9-12)20-18(23)13-10-17(22)21(11-13)16-8-3-2-7-15(16)19/h2-9,13H,10-11H2,1H3,(H,20,23) |
| InChIKey |
NRWJTBVFWKMANX-UHFFFAOYSA-N |
| Molecular Weight |
312.344 g/mol |
| SMILES |
C1=CC=C(N2C(CC(C2)C(NC2=CC(C)=CC=C2)=O)=O)C(=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908425 |
