| SpectraBase Compound ID | EteVQ4zZp5W |
|---|---|
| InChI | InChI=1S/C11H18OS/c1-4-6-7-8-11(13-3)9-10(12)5-2/h4-5,11H,1-2,6-9H2,3H3 |
| InChIKey | ILIJSQJTYKTRAK-UHFFFAOYSA-N |
| Mol Weight | 198.32 g/mol |
| Molecular Formula | C11H18OS |
| Exact Mass | 198.107836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HL5VytbqMYq |
|---|---|
| Name | 1,9-Decadien-3-one, 5-(methylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.107836373 u |
| Formula | C11H18OS |
| InChI | InChI=1S/C11H18OS/c1-4-6-7-8-11(13-3)9-10(12)5-2/h4-5,11H,1-2,6-9H2,3H3 |
| InChIKey | ILIJSQJTYKTRAK-UHFFFAOYSA-N |
| Molecular Weight | 198.324 g/mol |
| SMILES | C(C=C)(CC(SC)CCCC=C)=O |