| SpectraBase Spectrum ID |
1coDEiAFmMo |
| Name |
2-Methyl-1-((4-(trifluoromethyl)phenyl)thio)propan-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.063920701 u |
| Formula |
C11H13F3OS |
| InChI |
InChI=1S/C11H13F3OS/c1-10(2,15)7-16-9-5-3-8(4-6-9)11(12,13)14/h3-6,15H,7H2,1-2H3 |
| InChIKey |
COFRQYFSFLANEG-UHFFFAOYSA-N |
| Molecular Weight |
250.279 g/mol |
| SMILES |
C(C(C)(O)C)SC=1C=CC(=CC1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934913 |
