| SpectraBase Spectrum ID |
8cEH5AJadY |
| Name |
5-(2,4-Dichlorophenyl)-4-methyl-3-trifluoromethylpenta-2Z,4E-dienenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.998589151 u |
| Formula |
C13H8Cl2F3N |
| InChI |
InChI=1S/C13H8Cl2F3N/c1-8(11(4-5-19)13(16,17)18)6-9-2-3-10(14)7-12(9)15/h2-4,6-7H,1H3/b8-6+,11-4- |
| InChIKey |
ZLTFTNXDEYQODU-FRYFMILQSA-N |
| Molecular Weight |
306.115 g/mol |
| SMILES |
C(\C(\C(=C\C=1C(=CC(=CC1)Cl)Cl)C)=C/C#N)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882073 |
