| SpectraBase Spectrum ID |
At4MlDvMmBy |
| Name |
1-(4-Fluorophenyl)-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.132156985 u |
| Formula |
C21H18FNO2 |
| InChI |
InChI=1S/C21H18FNO2/c22-15-9-11-16(12-10-15)23-18-7-4-8-19(24)21(18)17(13-20(23)25)14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2 |
| InChIKey |
BXMIEVWHYTVSSY-UHFFFAOYSA-N |
| Molecular Weight |
335.378 g/mol |
| SMILES |
C1CCC=2N(C3=CC=C(C=C3)F)C(=O)CC(C3=CC=CC=C3)C2C1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923265 |
