| SpectraBase Compound ID | EW4ISJZX3ci |
|---|---|
| InChI | InChI=1S/C11H20O3S/c1-10(12)15-9-7-5-3-4-6-8-11(13)14-2/h3-9H2,1-2H3 |
| InChIKey | MWGIDRDXYJCVPA-UHFFFAOYSA-N |
| Mol Weight | 232.34 g/mol |
| Molecular Formula | C11H20O3S |
| Exact Mass | 232.113316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K7P5B8TFs4h |
|---|---|
| Name | 8-Acetylthiooctanoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.113315675 u |
| Formula | C11H20O3S |
| InChI | InChI=1S/C11H20O3S/c1-10(12)15-9-7-5-3-4-6-8-11(13)14-2/h3-9H2,1-2H3 |
| InChIKey | MWGIDRDXYJCVPA-UHFFFAOYSA-N |
| Molecular Weight | 232.338 g/mol |
| Nominal Mass | 232 u |
| SMILES | C(=O)(C)SCCCCCCCC(OC)=O |