| SpectraBase Compound ID | CacwoJ6vequ |
|---|---|
| InChI | InChI=1S/C11H14O2S/c12-14(13)8-6-11(7-9-14)10-4-2-1-3-5-10/h1-5,11H,6-9H2 |
| InChIKey | PJTAOGBXZUOHNR-UHFFFAOYSA-N |
| Mol Weight | 210.29 g/mol |
| Molecular Formula | C11H14O2S |
| Exact Mass | 210.071451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BT02GSNKK8u |
|---|---|
| Name | 4-Phenylthiane S,S-dioxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.071450863 u |
| Formula | C11H14O2S |
| InChI | InChI=1S/C11H14O2S/c12-14(13)8-6-11(7-9-14)10-4-2-1-3-5-10/h1-5,11H,6-9H2 |
| InChIKey | PJTAOGBXZUOHNR-UHFFFAOYSA-N |
| Molecular Weight | 210.291 g/mol |
| SMILES | C1=CC(=CC=C1)C1CCS(CC1)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971485 |