| SpectraBase Compound ID | Dizu7haavto |
|---|---|
| InChI | InChI=1S/C9H10O2S/c1-7(10)8-3-5-9(6-4-8)12(2)11/h3-6H,1-2H3 |
| InChIKey | NTUFNCGULZBNCK-UHFFFAOYSA-N |
| Mol Weight | 182.24 g/mol |
| Molecular Formula | C9H10O2S |
| Exact Mass | 182.040151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 69l5Ya6EbrK |
|---|---|
| Name | 4-Acetylphenyl methyl sulfoxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.040150734 u |
| Formula | C9H10O2S |
| InChI | InChI=1S/C9H10O2S/c1-7(10)8-3-5-9(6-4-8)12(2)11/h3-6H,1-2H3 |
| InChIKey | NTUFNCGULZBNCK-UHFFFAOYSA-N |
| Molecular Weight | 182.237 g/mol |
| SMILES | C=1(S(=O)C)C=CC(=CC1)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913934 |