| SpectraBase Compound ID | FlXZPQmPAx2 |
|---|---|
| InChI | InChI=1S/C12H22O2S/c1-4-6-8-11(10(3)13)15-12(14)9-7-5-2/h11H,4-9H2,1-3H3 |
| InChIKey | AXCWOBKATMBHRN-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 | 5qjCyHU4k2 |
|---|---|
| Name | 3-n-valerylthio-2-heptanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H22O2S |
| InChI | InChI=1S/C12H22O2S/c1-4-6-8-11(10(3)13)15-12(14)9-7-5-2/h11H,4-9H2,1-3H3 |
| InChIKey | AXCWOBKATMBHRN-UHFFFAOYSA-N |
| Ionization Type | EI |
| Molecular Weight | 230.366 g/mol |
| SMILES | CC(C(CCCC)SC(=O)CCCC)=O |
| SPLASH | splash10-052r-9200000000-519e06b067374dd361b2 |
| Source of Spectrum | JP2010100570A |
| Wiley ID | 1841979 |