| SpectraBase Spectrum ID |
CToI5t3p7IA |
| Name |
2,4-Dimethylbenzenethiol, S-pentafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.029426898 u |
| Formula |
C11H9F5OS |
| InChI |
InChI=1S/C11H9F5OS/c1-6-3-4-8(7(2)5-6)18-9(17)10(12,13)11(14,15)16/h3-5H,1-2H3 |
| InChIKey |
ZBKGMJHCMBAADS-UHFFFAOYSA-N |
| Molecular Weight |
284.244 g/mol |
| SMILES |
C1(=CC(=CC=C1SC(C(C(F)(F)F)(F)F)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904141 |
