| SpectraBase Spectrum ID |
3EnccmgtRgk |
| Name |
4,5-bis(Trifluoromethyl)-1,3-dithiol-2-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
283.940040628 u |
| Formula |
C6H2F6O2S2 |
| InChI |
InChI=1S/C6H2F6O2S2/c7-5(8,9)1-2(6(10,11)12)16-4(15-1)3(13)14/h4H,(H,13,14) |
| InChIKey |
UEDYFDLYZTZCDX-UHFFFAOYSA-N |
| Molecular Weight |
284.190 g/mol |
| SMILES |
C1(=C(SC(S1)C(=O)O)C(F)(F)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937051 |
