| SpectraBase Compound ID | zHsibeLiVo |
|---|---|
| InChI | InChI=1S/C9H12OS/c1-11(10)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | QAEIGILCOVDUQL-UHFFFAOYSA-N |
| Mol Weight | 168.25 g/mol |
| Molecular Formula | C9H12OS |
| Exact Mass | 168.060886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8fZW5I9pDwq |
|---|---|
| Name | Sulfoxide, methyl phenethyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.060886179 u |
| Formula | C9H12OS |
| InChI | InChI=1S/C9H12OS/c1-11(10)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | QAEIGILCOVDUQL-UHFFFAOYSA-N |
| Molecular Weight | 168.254 g/mol |
| SMILES | C(CC1=CC=CC=C1)S(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945716 |