| SpectraBase Compound ID | C1pCcxeNLLc |
|---|---|
| InChI | InChI=1S/C9H12O2S/c1-8-3-5-9(6-4-8)7-12(2,10)11/h3-6H,7H2,1-2H3 |
| InChIKey | SITMKUXMSQMJGR-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 | 3X6WPD3USZq |
|---|---|
| Name | Methyl p-methylbenzyl sulfone |
| 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/c1-8-3-5-9(6-4-8)7-12(2,10)11/h3-6H,7H2,1-2H3 |
| InChIKey | SITMKUXMSQMJGR-UHFFFAOYSA-N |
| Molecular Weight | 184.253 g/mol |
| SMILES | C(S(=O)(=O)C)C=1C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962167 |