| SpectraBase Compound ID | CmrMOnDz3y8 |
|---|---|
| InChI | InChI=1S/C8H18S2/c1-8(2,3)10-7-5-6-9-4/h5-7H2,1-4H3 |
| InChIKey | XDSAZYINGATKHH-UHFFFAOYSA-N |
| Mol Weight | 178.35 g/mol |
| Molecular Formula | C8H18S2 |
| Exact Mass | 178.084993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5gwjJwjq83V |
|---|---|
| Name | 1-(1,1-Dimethylethylthio)-3-methylthiopropane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.084992928 u |
| Formula | C8H18S2 |
| InChI | InChI=1S/C8H18S2/c1-8(2,3)10-7-5-6-9-4/h5-7H2,1-4H3 |
| InChIKey | XDSAZYINGATKHH-UHFFFAOYSA-N |
| Molecular Weight | 178.352 g/mol |
| SMILES | C(CCSC)SC(C)(C)C |