| SpectraBase Compound ID | F3npN9eAEhR |
|---|---|
| InChI | InChI=1S/C11H14OS/c12-13-8-4-7-11(9-13)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2 |
| InChIKey | FDIKZLHBZJLWDN-UHFFFAOYSA-N |
| Mol Weight | 194.29 g/mol |
| Molecular Formula | C11H14OS |
| Exact Mass | 194.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DmCeW0EhZch |
|---|---|
| Name | 3-Phenylthiane,S-oxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.076536244 u |
| Formula | C11H14OS |
| InChI | InChI=1S/C11H14OS/c12-13-8-4-7-11(9-13)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2 |
| InChIKey | FDIKZLHBZJLWDN-UHFFFAOYSA-N |
| Molecular Weight | 194.292 g/mol |
| SMILES | C1CCC(CS1=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968281 |