| SpectraBase Compound ID | BgU7PcEYixJ |
|---|---|
| InChI | InChI=1S/C11H14O3S/c1-10(12)14-7-8-15(13)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3 |
| InChIKey | OASAKJGXEUAGSE-UHFFFAOYSA-N |
| Mol Weight | 226.29 g/mol |
| Molecular Formula | C11H14O3S |
| Exact Mass | 226.066365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A80G3T2lLQg |
|---|---|
| Name | 2-(Benzylsulfinyl(ethanol, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.066365482 u |
| Formula | C11H14O3S |
| InChI | InChI=1S/C11H14O3S/c1-10(12)14-7-8-15(13)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3 |
| InChIKey | OASAKJGXEUAGSE-UHFFFAOYSA-N |
| Molecular Weight | 226.290 g/mol |
| Nominal Mass | 226 u |
| SMILES | C=1C(=CC=CC1)CS(CCOC(C)=O)=O |