| SpectraBase Spectrum ID |
7tkxZSSv3EO |
| Name |
E-alpha-(4-Chlorophenyl)-4-fluorocinnamonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.040755157 u |
| Formula |
C15H9ClFN |
| InChI |
InChI=1S/C15H9ClFN/c16-14-5-3-12(4-6-14)13(10-18)9-11-1-7-15(17)8-2-11/h1-9H/b13-9+ |
| InChIKey |
PXJDWVFBYVYGRZ-UKTHLTGXSA-N |
| Molecular Weight |
257.695 g/mol |
| SMILES |
C1=C(C=CC(=C1)\C(=C\C1=CC=C(C=C1)F)C#N)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.952096 |
