| SpectraBase Spectrum ID |
DLJDxo8IGco |
| Name |
4-Chloro-3-trifluoromethyl-benzenethiol, S-isopropyloxycarbonyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.004212923 u |
| Formula |
C11H10ClF3O2S |
| InChI |
InChI=1S/C11H10ClF3O2S/c1-6(2)17-10(16)18-7-3-4-9(12)8(5-7)11(13,14)15/h3-6H,1-2H3 |
| InChIKey |
AAMZMHIVDLDATH-UHFFFAOYSA-N |
| Molecular Weight |
298.707 g/mol |
| SMILES |
C(F)(F)(F)C1=C(Cl)C=CC(=C1)SC(OC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842339 |
