| SpectraBase Compound ID | KywNkm3PKLn |
|---|---|
| InChI | InChI=1S/C8H7NO2S4/c1-11-6(10)5-7(13-4-2-3-9)15-8(12)14-5/h2,4H2,1H3 |
| InChIKey | AIJXTEAZPNZZGS-UHFFFAOYSA-N |
| Mol Weight | 277.4 g/mol |
| Molecular Formula | C8H7NO2S4 |
| Exact Mass | 276.935963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HoGfIzSDtix |
|---|---|
| Name | 4-(2-Cyanoethylthio)-5-methoxycarbonyl-1,3-dithiol-2-thione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.935963163 u |
| Formula | C8H7NO2S4 |
| InChI | InChI=1S/C8H7NO2S4/c1-11-6(10)5-7(13-4-2-3-9)15-8(12)14-5/h2,4H2,1H3 |
| InChIKey | AIJXTEAZPNZZGS-UHFFFAOYSA-N |
| SMILES | C1(SC(=C(S1)SCCC#N)C(=O)OC)=S |