| SpectraBase Spectrum ID |
90XBXMUU2Rc |
| Name |
Benzamide, N-(3-methylphenyl)-4-fluoro- |
| 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/c1-10-3-2-4-13(9-10)16-14(17)11-5-7-12(15)8-6-11/h2-9H,1H3,(H,16,17) |
| InChIKey |
WPEKJIRSYYHUQY-UHFFFAOYSA-N |
| Molecular Weight |
229.254 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(NC1=CC(C)=CC=C1)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936223 |