| SpectraBase Spectrum ID |
EuXPvyRgFfC |
| Name |
bis[Trifluoromethyl]hydroxy-2-(aminoethylthio)methane zwitterion |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.015254000 u |
| Formula |
C5H7F6NOS |
| InChI |
InChI=1S/C5H7F6NOS/c6-4(7,8)3(13,5(9,10)11)14-2-1-12/h13H,1-2,12H2 |
| InChIKey |
MGPCOZJFYBZPPQ-UHFFFAOYSA-N |
| Molecular Weight |
243.167 g/mol |
| SMILES |
C(F)(F)(F)C(SCCN)(O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821865 |
![bis[Trifluoromethyl]hydroxy-2-(aminoethylthio)methane zwitterion](/api/spectrum/EuXPvyRgFfC/structure.png?h=300&w=458 "bis[Trifluoromethyl]hydroxy-2-(aminoethylthio)methane zwitterion")
