| SpectraBase Spectrum ID |
3AXoCcibGdu |
| Name |
(R)-S-Benzyl 2-hydroxy-2-phenylethanethioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927927 |
