| SpectraBase Compound ID | 8UPYsKy2c36 |
|---|---|
| InChI | InChI=1S/C12H16O2S/c1-3-15-12(14)9(2)11(13)10-7-5-4-6-8-10/h4-9,11,13H,3H2,1-2H3/t9-,11-/m0/s1 |
| InChIKey | AGLPVZIZUJHJOQ-ONGXEEELSA-N |
| Mol Weight | 224.32 g/mol |
| Molecular Formula | C12H16O2S |
| Exact Mass | 224.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2EWnqBTtcj9 |
|---|---|
| Name | (2S,3S)-S-Ethyl 3-hydroxy-2-methyl-3-phenylpropanethioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.087100927 u |
| Formula | C12H16O2S |
| InChI | InChI=1S/C12H16O2S/c1-3-15-12(14)9(2)11(13)10-7-5-4-6-8-10/h4-9,11,13H,3H2,1-2H3/t9-,11-/m0/s1 |
| InChIKey | AGLPVZIZUJHJOQ-ONGXEEELSA-N |
| Molecular Weight | 224.318 g/mol |
| SMILES | C(SCC)([C@]([C@@](C1=CC=CC=C1)(O)[H])(C)[H])=O |