| SpectraBase Spectrum ID |
5S8hT8ewVFs |
| Name |
(2S,3S)-S-Ethyl 3-hydroxy-2-methyl-3-phenylpropanethioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886975 |
