| SpectraBase Compound ID | 6VXHXlNbHXb |
|---|---|
| InChI | InChI=1S/C9H18O3S/c1-4-11-9(12-5-2)6-7-13-8(3)10/h9H,4-7H2,1-3H3 |
| InChIKey | KNQKNEQJYMMARF-UHFFFAOYSA-N |
| Mol Weight | 206.3 g/mol |
| Molecular Formula | C9H18O3S |
| Exact Mass | 206.097666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EllzxtLsqER |
|---|---|
| Name | Ethanethioic acid, S-(3,3-diethoxypropyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.097665611 u |
| Formula | C9H18O3S |
| InChI | InChI=1S/C9H18O3S/c1-4-11-9(12-5-2)6-7-13-8(3)10/h9H,4-7H2,1-3H3 |
| InChIKey | KNQKNEQJYMMARF-UHFFFAOYSA-N |
| Molecular Weight | 206.300 g/mol |
| SMILES | CC(SCCC(OCC)OCC)=O |