| SpectraBase Compound ID | LFdHnceQp0M |
|---|---|
| InChI | InChI=1S/C9H12O2S/c1-7-4-5-9(8(2)6-7)12(3,10)11/h4-6H,1-3H3 |
| InChIKey | QTPNJZSUGOJDDN-UHFFFAOYSA-N |
| Mol Weight | 184.25 g/mol |
| Molecular Formula | C9H12O2S |
| Exact Mass | 184.055801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FQSOtmZuxHh |
|---|---|
| Name | 1-Mesyl-2,4-dimethyl-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.055800798 u |
| Formula | C9H12O2S |
| InChI | InChI=1S/C9H12O2S/c1-7-4-5-9(8(2)6-7)12(3,10)11/h4-6H,1-3H3 |
| InChIKey | QTPNJZSUGOJDDN-UHFFFAOYSA-N |
| Molecular Weight | 184.253 g/mol |
| SMILES | CS(=O)(=O)C=1C(=CC(=CC1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951726 |