| SpectraBase Compound ID | JCSyDuXr05c |
|---|---|
| InChI | InChI=1S/C12H22O2S/c1-5-6-7-12(14)15-11(10(4)13)8-9(2)3/h9,11H,5-8H2,1-4H3 |
| InChIKey | YODRWCKYKSAYAH-UHFFFAOYSA-N |
| Mol Weight | 230.37 g/mol |
| Molecular Formula | C12H22O2S |
| Exact Mass | 230.134051 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 72x7fr1IOkj |
|---|---|
| Name | 5-methyl-3-n-valerylthio-2-hexanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H22O2S |
| InChI | InChI=1S/C12H22O2S/c1-5-6-7-12(14)15-11(10(4)13)8-9(2)3/h9,11H,5-8H2,1-4H3 |
| InChIKey | YODRWCKYKSAYAH-UHFFFAOYSA-N |
| Ionization Type | EI |
| Molecular Weight | 230.366 g/mol |
| SMILES | CC(C(CC(C)C)SC(=O)CCCC)=O |
| SPLASH | splash10-000i-9200000000-02d5cc238f7be5952444 |
| Source of Spectrum | JP2010100570A |
| Wiley ID | 1841976 |