| SpectraBase Compound ID | BC2xpUGwBq |
|---|---|
| InChI | InChI=1S/C9H12O2S/c1-7-5-4-6-9(8(7)2)12(3,10)11/h4-6H,1-3H3 |
| InChIKey | FYWAJRTVIKZVRF-UHFFFAOYSA-N |
| Mol Weight | 184.25 g/mol |
| Molecular Formula | C9H12O2S |
| Exact Mass | 184.055801 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HP2S2FiRO1f |
|---|---|
| Name | 1-Mesyl-2,3-dimethyl-benzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12O2S |
| InChI | InChI=1S/C9H12O2S/c1-7-5-4-6-9(8(7)2)12(3,10)11/h4-6H,1-3H3 |
| InChIKey | FYWAJRTVIKZVRF-UHFFFAOYSA-N |
| Molecular Weight | 184.253 g/mol |
| SMILES | CS(=O)(=O)c1c(c(ccc1)C)C |
| SPLASH | splash10-057i-6900000000-d25b73988218f0e42c84 |
| Source of Spectrum | K1-2004-4638-19 |
| Synonyms | 1,2-Dimethyl-3-methylsulfonylbenzene |
| Wiley ID | 1559902 |