| SpectraBase Spectrum ID |
9kF3RRvUOoE |
| Name |
N-(3-Fluorophenyl)-4-methylbenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.090292172 u |
| Formula |
C14H12FNO |
| InChI |
InChI=1S/C14H12FNO/c1-10-5-7-11(8-6-10)14(17)16-13-4-2-3-12(15)9-13/h2-9H,1H3,(H,16,17) |
| InChIKey |
PQRSXKFJFJPAAR-UHFFFAOYSA-N |
| Molecular Weight |
229.254 g/mol |
| SMILES |
C1(NC(C=2C=CC(=CC2)C)=O)=CC(=CC=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939479 |
