| SpectraBase Compound ID | D71Mq7vRLJI |
|---|---|
| InChI | InChI=1S/C7H12OS2/c1-6(2)4-5-10-7(8)9-3/h4H,5H2,1-3H3 |
| InChIKey | UGFDKLUYKSLYFF-UHFFFAOYSA-N |
| Mol Weight | 176.29 g/mol |
| Molecular Formula | C7H12OS2 |
| Exact Mass | 176.032957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HrPZ51kIuzy |
|---|---|
| Name | (3-Methylbut-2-enylthio)-(methylthio)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.032957353 u |
| Formula | C7H12OS2 |
| InChI | InChI=1S/C7H12OS2/c1-6(2)4-5-10-7(8)9-3/h4H,5H2,1-3H3 |
| InChIKey | UGFDKLUYKSLYFF-UHFFFAOYSA-N |
| Molecular Weight | 176.292 g/mol |
| SMILES | C(=O)(SCC=C(C)C)SC |