| SpectraBase Spectrum ID |
GGNOyuAMrjy |
| Name |
2-[2-Nitro-4-(trifluoromethyl)phenyl]-2,3-diphenyl-propanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.108562218 u |
| Formula |
C22H15F3N2O2 |
| InChI |
InChI=1S/C22H15F3N2O2/c23-22(24,25)18-11-12-19(20(13-18)27(28)29)21(15-26,17-9-5-2-6-10-17)14-16-7-3-1-4-8-16/h1-13H,14H2 |
| InChIKey |
GPCHYAHWICKYDR-UHFFFAOYSA-N |
| Molecular Weight |
396.369 g/mol |
| SMILES |
C=1(N(=O)=O)C(C(C#N)(CC=2C=CC=CC2)C2=CC=CC=C2)=CC=C(C(F)(F)F)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808922 |
![2-[2-Nitro-4-(trifluoromethyl)phenyl]-2,3-diphenyl-propanenitrile](/api/spectrum/GGNOyuAMrjy/structure.png?h=300&w=458 "2-[2-Nitro-4-(trifluoromethyl)phenyl]-2,3-diphenyl-propanenitrile")
