| SpectraBase Spectrum ID |
BD99uAtJcYc |
| Name |
6-(Ethylsulfonyl)-alpha,alpha,alpha-trifluoro-m-toluidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
253.038434227 u |
| Formula |
C9H10F3NO2S |
| InChI |
InChI=1S/C9H10F3NO2S/c1-2-16(14,15)8-4-3-6(5-7(8)13)9(10,11)12/h3-5H,2,13H2,1H3 |
| InChIKey |
BSSGSFJFQBQCFO-UHFFFAOYSA-N |
| Molecular Weight |
253.239 g/mol |
| SMILES |
NC1=C(C=CC(=C1)C(F)(F)F)S(=O)(=O)CC |
| Spectrum/Structure Validation Score (Raman) |
0.83347 |
