| SpectraBase Compound ID | 2yNEo0CLaGm |
|---|---|
| InChI | InChI=1S/C13H16O2S/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h6-9,13H,2-5H2,1H3 |
| InChIKey | NESNJGILYGANHV-UHFFFAOYSA-N |
| Mol Weight | 236.33 g/mol |
| Molecular Formula | C13H16O2S |
| Exact Mass | 236.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMLOEH6ttOY |
|---|---|
| Name | 2-(p-Methoxyphenylthio)cyclohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.087100927 u |
| Formula | C13H16O2S |
| InChI | InChI=1S/C13H16O2S/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h6-9,13H,2-5H2,1H3 |
| InChIKey | NESNJGILYGANHV-UHFFFAOYSA-N |
| Molecular Weight | 236.329 g/mol |
| SMILES | C1(SC=2C=CC(=CC2)OC)C(=O)CCCC1 |