| SpectraBase Compound ID | 6L9eceS4Cw6 |
|---|---|
| InChI | InChI=1S/C9H8N2OS4/c10-3-1-5-13-7-8(14-6-2-4-11)16-9(12)15-7/h1-2,5-6H2 |
| InChIKey | SIYHFUIJFJOCQE-UHFFFAOYSA-N |
| Mol Weight | 288.4 g/mol |
| Molecular Formula | C9H8N2OS4 |
| Exact Mass | 287.951948 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7nAuJQrG171 |
|---|---|
| Name | 4,5-bis(2'-Cyaoethylthio)-1,3-dithiole-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.951947581 u |
| Formula | C9H8N2OS4 |
| InChI | InChI=1S/C9H8N2OS4/c10-3-1-5-13-7-8(14-6-2-4-11)16-9(12)15-7/h1-2,5-6H2 |
| InChIKey | SIYHFUIJFJOCQE-UHFFFAOYSA-N |
| Molecular Weight | 288.416 g/mol |
| SMILES | C1(SC(=C(S1)SCCC#N)SCCC#N)=O |