| SpectraBase Compound ID | 9CjI6aXAc4L |
|---|---|
| InChI | InChI=1S/C18H18OS/c19-17-13-15(14-7-3-1-4-8-14)11-12-18(17)20-16-9-5-2-6-10-16/h1-10,15,18H,11-13H2 |
| InChIKey | KWJLIEVAQPLKGV-UHFFFAOYSA-N |
| Mol Weight | 282.4 g/mol |
| Molecular Formula | C18H18OS |
| Exact Mass | 282.107836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AB87Nnf4XHt |
|---|---|
| Name | 5-Phenyl-2-phenylthio-cyclohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.107836373 u |
| Formula | C18H18OS |
| InChI | InChI=1S/C18H18OS/c19-17-13-15(14-7-3-1-4-8-14)11-12-18(17)20-16-9-5-2-6-10-16/h1-10,15,18H,11-13H2 |
| InChIKey | KWJLIEVAQPLKGV-UHFFFAOYSA-N |
| SMILES | C1(CC(C(CC1)SC1=CC=CC=C1)=O)C1=CC=CC=C1 |