| SpectraBase Spectrum ID |
EZWpfucDXN9 |
| Name |
3-Anilino-3-(4-fluorophenyl)-propionic acid nitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.106276590 u |
| Formula |
C15H13FN2 |
| InChI |
InChI=1S/C15H13FN2/c16-13-8-6-12(7-9-13)15(10-11-17)18-14-4-2-1-3-5-14/h1-9,15,18H,10H2 |
| InChIKey |
OFSQNIYWVXUQTL-UHFFFAOYSA-N |
| Molecular Weight |
240.281 g/mol |
| SMILES |
C(CC(C=1C=CC(=CC1)F)NC=1C=CC=CC1)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945357 |
