| SpectraBase Compound ID | ItoimqGSoxX |
|---|---|
| InChI | InChI=1S/C12H22O3S2/c1-10(13)17-11(8-9-16-3)6-4-5-7-12(14)15-2/h11H,4-9H2,1-3H3 |
| InChIKey | DYPKSELFHZEHSK-UHFFFAOYSA-N |
| Mol Weight | 278.43 g/mol |
| Molecular Formula | C12H22O3S2 |
| Exact Mass | 278.101037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JTB24C1mmbM |
|---|---|
| Name | Methyl 6-acetylthio-8-methylthio-octanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.101036913 u |
| Formula | C12H22O3S2 |
| InChI | InChI=1S/C12H22O3S2/c1-10(13)17-11(8-9-16-3)6-4-5-7-12(14)15-2/h11H,4-9H2,1-3H3 |
| InChIKey | DYPKSELFHZEHSK-UHFFFAOYSA-N |
| SMILES | C(SC(CCSC)CCCCC(=O)OC)(=O)C |