| SpectraBase Compound ID | AxdaqvED3Qa |
|---|---|
| InChI | InChI=1S/C12H14O2S/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h6-8,10H,1-5H2 |
| InChIKey | UBYILXJXVVVLTA-UHFFFAOYSA-N |
| Mol Weight | 222.3 g/mol |
| Molecular Formula | C12H14O2S |
| Exact Mass | 222.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 19LHRcjqVHn |
|---|---|
| Name | 2-(Cyclohexylthio)-p-benzoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.071450863 u |
| Formula | C12H14O2S |
| InChI | InChI=1S/C12H14O2S/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h6-8,10H,1-5H2 |
| InChIKey | UBYILXJXVVVLTA-UHFFFAOYSA-N |
| Molecular Weight | 222.302 g/mol |
| SMILES | C1(=CC(=O)C=CC1=O)SC1CCCCC1 |