| SpectraBase Spectrum ID |
1k0kxDYzSyn |
| Name |
3,3,3-Trifluoro-N-(2-isopropyl-phenyl)-2-trifluoromethyl-propionamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.090133020 u |
| Formula |
C13H13F6NO |
| InChI |
InChI=1S/C13H13F6NO/c1-7(2)8-5-3-4-6-9(8)20-11(21)10(12(14,15)16)13(17,18)19/h3-7,10H,1-2H3,(H,20,21) |
| InChIKey |
RDUKXSAMLJRBOY-UHFFFAOYSA-N |
| Molecular Weight |
313.243 g/mol |
| SMILES |
C(C(C(F)(F)F)C(F)(F)F)(NC=1C(=CC=CC1)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818645 |
