| SpectraBase Spectrum ID |
AAaIpJM1JCc |
| Name |
2,4-Dimethylbenzenethiol, S-trifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.032620572 u |
| Formula |
C10H9F3OS |
| InChI |
InChI=1S/C10H9F3OS/c1-6-3-4-8(7(2)5-6)15-9(14)10(11,12)13/h3-5H,1-2H3 |
| InChIKey |
XYEFTMQJQMQVLF-UHFFFAOYSA-N |
| Molecular Weight |
234.236 g/mol |
| SMILES |
C1(=CC(=CC=C1SC(C(F)(F)F)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830456 |
