| SpectraBase Spectrum ID |
9qocL6lz4n9 |
| Name |
(-)-(2S)-5-benzenesulfonylpent-3-ene-1,2-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.061280101 u |
| Formula |
C11H14O4S |
| InChI |
InChI=1S/C11H14O4S/c12-9-10(13)5-4-8-16(14,15)11-6-2-1-3-7-11/h1-7,10,12-13H,8-9H2/b5-4+/t10-/m0/s1 |
| InChIKey |
SZCQRXJMBYTJAL-YEZKRMTDSA-N |
| Molecular Weight |
242.289 g/mol |
| SMILES |
C=1(S(=O)(=O)C\C=C\[C@](O)(CO)[H])C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865005 |
