| SpectraBase Compound ID | GcTuVMbW2Uu |
|---|---|
| InChI | InChI=1S/C11H14O3S/c1-10-4-6-11(7-5-10)15(13,14)9-3-2-8-12/h2-7,12H,8-9H2,1H3/b3-2+ |
| InChIKey | YGYDHDKKSFPDNA-NSCUHMNNSA-N |
| Mol Weight | 226.29 g/mol |
| Molecular Formula | C11H14O3S |
| Exact Mass | 226.066365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ARvYWg13VTs |
|---|---|
| Name | (E)-4-Tosyl-2-buten-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.066365482 u |
| Formula | C11H14O3S |
| InChI | InChI=1S/C11H14O3S/c1-10-4-6-11(7-5-10)15(13,14)9-3-2-8-12/h2-7,12H,8-9H2,1H3/b3-2+ |
| InChIKey | YGYDHDKKSFPDNA-NSCUHMNNSA-N |
| Molecular Weight | 226.290 g/mol |
| SMILES | C(\C=C\CS(=O)(=O)C=1C=CC(C)=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875368 |