| SpectraBase Spectrum ID |
6xgRB9P7apr |
| Name |
alpha,alpha,alpha-Trifluoro-3,4,5-tris(methylsulfonyl)toluene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.966986079 u |
| Formula |
C10H11F3O6S3 |
| InChI |
InChI=1S/C10H11F3O6S3/c1-20(14,15)7-4-6(10(11,12)13)5-8(21(2,16)17)9(7)22(3,18)19/h4-5H,1-3H3 |
| InChIKey |
ZHJYIUUFZRIYNB-UHFFFAOYSA-N |
| Molecular Weight |
380.367 g/mol |
| SMILES |
C(F)(F)(F)C=1C=C(C(=C(C1)S(=O)(=O)C)S(=O)(=O)C)S(=O)(=O)C |
| Spectrum/Structure Validation Score (Raman) |
0.862817 |
