| SpectraBase Compound ID | 2fmbM8rEHVc |
|---|---|
| InChI | InChI=1S/C7H2F4O2S/c8-2-1(7(12)13)3(9)5(11)6(14)4(2)10/h14H,(H,12,13) |
| InChIKey | USFMEWZQIHKRDP-UHFFFAOYSA-N |
| Mol Weight | 226.14 g/mol |
| Molecular Formula | C7H2F4O2S |
| Exact Mass | 225.971163 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | A7ubMmYvpMH |
|---|---|
| Name | 4-Mercapto-2,3,5,6-tetrafluorobenzoic-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.971163128 u |
| Formula | C7H2F4O2S |
| InChI | InChI=1S/C7H2F4O2S/c8-2-1(7(12)13)3(9)5(11)6(14)4(2)10/h14H,(H,12,13) |
| InChIKey | USFMEWZQIHKRDP-UHFFFAOYSA-N |
| Molecular Weight | 226.145 g/mol |
| SMILES | C1(F)=C(S)C(=C(C(=C1F)C(=O)O)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95912 |