| SpectraBase Compound ID | YtMQwLLWaf |
|---|---|
| InChI | InChI=1S/C12H15ClS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h6-9,11H,1-5H2 |
| InChIKey | DJYQZQAOJUWOCX-UHFFFAOYSA-N |
| Mol Weight | 226.76 g/mol |
| Molecular Formula | C12H15ClS |
| Exact Mass | 226.058299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7pua3YTaFns |
|---|---|
| Name | 1-Chloranyl-4-cyclohexylsulfanyl-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.058299357 u |
| Formula | C12H15ClS |
| InChI | InChI=1S/C12H15ClS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h6-9,11H,1-5H2 |
| InChIKey | DJYQZQAOJUWOCX-UHFFFAOYSA-N |
| Molecular Weight | 226.765 g/mol |
| SMILES | C1(CCCCC1)SC=1C=CC(=CC1)Cl |