| SpectraBase Spectrum ID |
2hXhKy3wvUs |
| Name |
4-Chloro-3-trifluoromethyl-benzenethiol, S-trifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.949732568 u |
| Formula |
C9H3ClF6OS |
| InChI |
InChI=1S/C9H3ClF6OS/c10-6-2-1-4(3-5(6)8(11,12)13)18-7(17)9(14,15)16/h1-3H |
| InChIKey |
TVSBIFPPOQMGFX-UHFFFAOYSA-N |
| Molecular Weight |
308.625 g/mol |
| SMILES |
C(F)(F)(F)C1=C(Cl)C=CC(=C1)SC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944713 |
