| SpectraBase Compound ID | BOjfBRoJefz |
|---|---|
| InChI | InChI=1S/C11H22O2S/c1-4-7-8-10(5-2)9-13-11(12)14-6-3/h10H,4-9H2,1-3H3 |
| InChIKey | CZFPKGGUVBWLQV-UHFFFAOYSA-N |
| Mol Weight | 218.35 g/mol |
| Molecular Formula | C11H22O2S |
| Exact Mass | 218.134051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GtPgEtUiCSr |
|---|---|
| Name | S-Ethyl o-2-ethylhexyl carbonothioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.134051120 u |
| Formula | C11H22O2S |
| InChI | InChI=1S/C11H22O2S/c1-4-7-8-10(5-2)9-13-11(12)14-6-3/h10H,4-9H2,1-3H3 |
| InChIKey | CZFPKGGUVBWLQV-UHFFFAOYSA-N |
| Molecular Weight | 218.355 g/mol |
| SMILES | C(=O)(OCC(CC)CCCC)SCC |