| SpectraBase Compound ID | KKIGDCsFg4c |
|---|---|
| InChI | InChI=1S/C6H14S/c1-4-7-5-6(2)3/h6H,4-5H2,1-3H3 |
| InChIKey | OIRKGXWQBSPXLQ-UHFFFAOYSA-N |
| Mol Weight | 118.24 g/mol |
| Molecular Formula | C6H14S |
| Exact Mass | 118.081622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2yU8FRZiT48 |
|---|---|
| Name | Propane, 1-(ethylthio)-2-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.081621625 u |
| Formula | C6H14S |
| InChI | InChI=1S/C6H14S/c1-4-7-5-6(2)3/h6H,4-5H2,1-3H3 |
| InChIKey | OIRKGXWQBSPXLQ-UHFFFAOYSA-N |
| Molecular Weight | 118.238 g/mol |
| SMILES | C(C(C)C)SCC |