| SpectraBase Spectrum ID |
8eEFdMCbkfC |
| Name |
2,6-Dichloro-3,5-bis(trifluoromethylsulphonyl)aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.878474303 u |
| Formula |
C8H3Cl2F6NO4S2 |
| InChI |
InChI=1S/C8H3Cl2F6NO4S2/c9-4-2(22(18,19)7(11,12)13)1-3(5(10)6(4)17)23(20,21)8(14,15)16/h1H,17H2 |
| InChIKey |
JBNAZPVCMUIKQV-UHFFFAOYSA-N |
| Molecular Weight |
426.131 g/mol |
| SMILES |
Nc1c(c(cc(c1Cl)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95719 |
