| SpectraBase Compound ID | Cs1VIBDumWM |
|---|---|
| InChI | InChI=1S/C9H8O2S2/c10-9(11)4-2-6-1-3-7(12)5-8(6)13/h1-5,12-13H,(H,10,11)/b4-2+ |
| InChIKey | SXBGJBCFTYKDFL-DUXPYHPUSA-N |
| Mol Weight | 212.28 g/mol |
| Molecular Formula | C9H8O2S2 |
| Exact Mass | 211.996572 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Iq1GhAoLTIg |
|---|---|
| Name | 2,4-Dithiocinammic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.996571844 u |
| Formula | C9H8O2S2 |
| InChI | InChI=1S/C9H8O2S2/c10-9(11)4-2-6-1-3-7(12)5-8(6)13/h1-5,12-13H,(H,10,11)/b4-2+ |
| InChIKey | SXBGJBCFTYKDFL-DUXPYHPUSA-N |
| Molecular Weight | 212.281 g/mol |
| SMILES | C1(=C(C=CC(=C1)S)\C=C\C(O)=O)S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918164 |