| SpectraBase Compound ID | Evbem1RbUdO |
|---|---|
| InChI | InChI=1S/C11H14O2S/c12-14(13)8-4-7-11(9-14)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2 |
| InChIKey | XKCGFOMTBPFTCD-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 | 9FUpBOEf7zq |
|---|---|
| Name | 3-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)8-4-7-11(9-14)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2 |
| InChIKey | XKCGFOMTBPFTCD-UHFFFAOYSA-N |
| Molecular Weight | 210.291 g/mol |
| SMILES | C1CCC(CS1(=O)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956996 |