| SpectraBase Compound ID | 6cLO8YsteWN |
|---|---|
| InChI | InChI=1S/C15H14O2S/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2/t14-/m1/s1 |
| InChIKey | VQSVXKWTMUJYCQ-CQSZACIVSA-N |
| Mol Weight | 258.33 g/mol |
| Molecular Formula | C15H14O2S |
| Exact Mass | 258.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3zLUPMyktAf |
|---|---|
| Name | (R)-S-Benzyl 2-hydroxy-2-phenylethanethioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.071450863 u |
| Formula | C15H14O2S |
| InChI | InChI=1S/C15H14O2S/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2/t14-/m1/s1 |
| InChIKey | VQSVXKWTMUJYCQ-CQSZACIVSA-N |
| SMILES | C([C@@](C=1C=CC=CC1)(O)[H])(=O)SCC=1C=CC=CC1 |