![Cyclohexanone, 2-[5-(methylthio)-3-oxopentyl]-](/api/spectrum/C6i697yryVj/structure.png?h=300&w=458 "Cyclohexanone, 2-[5-(methylthio)-3-oxopentyl]-")
| SpectraBase Compound ID | 8IsXpmIQ0G8 |
|---|---|
| InChI | InChI=1S/C12H20O2S/c1-15-9-8-11(13)7-6-10-4-2-3-5-12(10)14/h10H,2-9H2,1H3 |
| InChIKey | JRSXLVZAAGPUGV-UHFFFAOYSA-N |
| Mol Weight | 228.35 g/mol |
| Molecular Formula | C12H20O2S |
| Exact Mass | 228.118401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C6i697yryVj |
|---|---|
| Name | Cyclohexanone, 2-[5-(methylthio)-3-oxopentyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.118401056 u |
| Formula | C12H20O2S |
| InChI | InChI=1S/C12H20O2S/c1-15-9-8-11(13)7-6-10-4-2-3-5-12(10)14/h10H,2-9H2,1H3 |
| InChIKey | JRSXLVZAAGPUGV-UHFFFAOYSA-N |
| Molecular Weight | 228.350 g/mol |
| SMILES | C1(=O)C(CCC(=O)CCSC)CCCC1 |