| SpectraBase Compound ID | 5OlAv8aCjvz |
|---|---|
| InChI | InChI=1S/C9H18OS/c1-4-5-6-7-9(11-3)8(2)10/h9H,4-7H2,1-3H3 |
| InChIKey | IRKBVFSVNUXLIL-UHFFFAOYSA-N |
| Mol Weight | 174.3 g/mol |
| Molecular Formula | C9H18OS |
| Exact Mass | 174.107836 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KdS5B7ZUiK |
|---|---|
| Name | 3-methylthio-2-octanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H18OS |
| InChI | InChI=1S/C9H18OS/c1-4-5-6-7-9(11-3)8(2)10/h9H,4-7H2,1-3H3 |
| InChIKey | IRKBVFSVNUXLIL-UHFFFAOYSA-N |
| Ionization Type | EI |
| Molecular Weight | 174.302 g/mol |
| SMILES | CC(C(CCCCC)SC)=O |
| SPLASH | splash10-001i-9600000000-3cf4e5f226c58732fbde |
| Source of Spectrum | JP2010100569A |
| Wiley ID | 1841961 |