| SpectraBase Spectrum ID |
CLBTXqpWxm6 |
| Name |
1-(3-(Trifluoromethyl)phenyl)-2-methylamino-propan-1-one tfa |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.069397574 u |
| Formula |
C13H11F6NO2 |
| InChI |
InChI=1S/C13H11F6NO2/c1-7(20(2)11(22)13(17,18)19)10(21)8-4-3-5-9(6-8)12(14,15)16/h3-7H,1-2H3 |
| InChIKey |
IPVIVFIOHULZGU-UHFFFAOYSA-N |
| Molecular Weight |
327.226 g/mol |
| SMILES |
C(C1=CC(C(C(N(C(C(F)(F)F)=O)C)C)=O)=CC=C1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944195 |
