| SpectraBase Compound ID | 7P502gr4LkX |
|---|---|
| InChI | InChI=1S/C15H30O3S/c1-3-5-6-7-8-10-13-19(17)14-11-9-12-15(16)18-4-2/h3-14H2,1-2H3 |
| InChIKey | TYTWHOONJDGMSQ-UHFFFAOYSA-N |
| Mol Weight | 290.46 g/mol |
| Molecular Formula | C15H30O3S |
| Exact Mass | 290.191566 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 92irAeC9y2N |
|---|---|
| Name | Ethyl 5-(octane-1-sulfinyl)pentanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.191565997 u |
| Formula | C15H30O3S |
| InChI | InChI=1S/C15H30O3S/c1-3-5-6-7-8-10-13-19(17)14-11-9-12-15(16)18-4-2/h3-14H2,1-2H3 |
| InChIKey | TYTWHOONJDGMSQ-UHFFFAOYSA-N |
| SMILES | C(CCCCCC)CS(CCCCC(=O)OCC)=O |