| SpectraBase Spectrum ID |
E2Ggxu925S |
| Name |
2-{p-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-3-(alpha,alpha,alpha-trifluoro-p-tolyl)acrylonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.070004426 u |
| Formula |
C23H14ClF4NO |
| InChI |
InChI=1S/C23H14ClF4NO/c24-21-2-1-3-22(25)20(21)14-30-19-10-6-16(7-11-19)17(13-29)12-15-4-8-18(9-5-15)23(26,27)28/h1-12H,14H2 |
| InChIKey |
SHIBEQAFIMZYKX-UHFFFAOYSA-N |
| Molecular Weight |
431.818 g/mol |
| SMILES |
C(F)(F)(F)C1=CC=C(C=C1)C=C(C=1C=CC(=CC1)OCC=1C(=CC=CC1F)Cl)C#N |
| Spectrum/Structure Validation Score (Raman) |
0.903684 |
![2-{p-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-3-(alpha,alpha,alpha-trifluoro-p-tolyl)acrylonitrile](/api/spectrum/E2Ggxu925S/structure.png?h=300&w=458 "2-{p-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-3-(alpha,alpha,alpha-trifluoro-p-tolyl)acrylonitrile")
