| SpectraBase Spectrum ID |
5sWj1SsGbAV |
| Name |
R (2-Amino-5-((trifluoromethyl)sulfonyl)phenyl)(hydroxy)azane oxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.992212308 u |
| Formula |
C7H5F3N2O4S |
| InChI |
InChI=1S/C7H5F3N2O4S/c8-7(9,10)17(15,16)4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2 |
| InChIKey |
FKMFQWURIVAFGN-UHFFFAOYSA-N |
| Molecular Weight |
270.182 g/mol |
| SMILES |
C1(N)=CC=C(C=C1N(=O)=O)S(=O)(=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855312 |
