| SpectraBase Compound ID | 6vNEa0DPlke |
|---|---|
| InChI | InChI=1S/C17H18O2S/c1-2-19-17(18)15-10-6-7-11-16(15)20-13-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3 |
| InChIKey | ROCZVINHXCLYDB-UHFFFAOYSA-N |
| Mol Weight | 286.39 g/mol |
| Molecular Formula | C17H18O2S |
| Exact Mass | 286.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1b9FQ2YHx1e |
|---|---|
| Name | Ethyl 2-(2-phenylethylthio)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.102750992 u |
| Formula | C17H18O2S |
| InChI | InChI=1S/C17H18O2S/c1-2-19-17(18)15-10-6-7-11-16(15)20-13-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3 |
| InChIKey | ROCZVINHXCLYDB-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC=C1)C(=O)OCC)SCCC1=CC=CC=C1 |