| SpectraBase Compound ID | HnvC1SlmjIb |
|---|---|
| InChI | InChI=1S/C11H14OS2/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3 |
| InChIKey | YMMXGUBMOSHZDL-UHFFFAOYSA-N |
| Mol Weight | 226.35 g/mol |
| Molecular Formula | C11H14OS2 |
| Exact Mass | 226.048607 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Fuzt2SVikkT |
|---|---|
| Name | Benzyl 3-hydroxybutanedithioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.048607418 u |
| Formula | C11H14OS2 |
| InChI | InChI=1S/C11H14OS2/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3 |
| InChIKey | YMMXGUBMOSHZDL-UHFFFAOYSA-N |
| Molecular Weight | 226.352 g/mol |
| SMILES | C(CC(O)C)(=S)SCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.808249 |