| SpectraBase Compound ID | LUAWMLIj3qE |
|---|---|
| InChI | InChI=1S/C13H16O2S/c14-13-9-5-4-6-11(13)10-16(15)12-7-2-1-3-8-12/h1-3,7-8,11H,4-6,9-10H2 |
| InChIKey | MMQDIAOSTWVRDG-UHFFFAOYSA-N |
| Mol Weight | 236.33 g/mol |
| Molecular Formula | C13H16O2S |
| Exact Mass | 236.087101 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 81B4DwDw8VP |
|---|---|
| Name | 2-Benzenesulfinylmethyl-cyclohexanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16O2S |
| InChI | InChI=1S/C13H16O2S/c14-13-9-5-4-6-11(13)10-16(15)12-7-2-1-3-8-12/h1-3,7-8,11H,4-6,9-10H2 |
| InChIKey | MMQDIAOSTWVRDG-UHFFFAOYSA-N |
| Molecular Weight | 236.329 g/mol |
| SMILES | C(S(=O)c1ccccc1)C1C(=O)CCCC1 |
| SPLASH | splash10-000i-0390000000-f02bea14cb8b461f0b49 |
| Source of Spectrum | F-67-7993-11 |
| Wiley ID | 1687615 |