| SpectraBase Spectrum ID |
AY6jVmDPoyc |
| Name |
2-[[3,5-bis(Trifluoromethyl)phenyl]thio]ethanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.020005029 u |
| Formula |
C10H8F6OS |
| InChI |
InChI=1S/C10H8F6OS/c11-9(12,13)6-3-7(10(14,15)16)5-8(4-6)18-2-1-17/h3-5,17H,1-2H2 |
| InChIKey |
YNSHAQNVYLWTKF-UHFFFAOYSA-N |
| Molecular Weight |
290.223 g/mol |
| SMILES |
C(CSC=1C=C(C=C(C1)C(F)(F)F)C(F)(F)F)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906604 |
![2-[[3,5-Bis(trifluoromethyl)phenyl]thio]ethanol](/api/spectrum/AY6jVmDPoyc/structure.png?h=300&w=458 "2-[[3,5-Bis(trifluoromethyl)phenyl]thio]ethanol")
