| SpectraBase Compound ID | BDjbfFrFsKP |
|---|---|
| InChI | InChI=1S/C20H22OS2/c21-19(16-10-4-1-5-11-16)20(22-17-12-6-2-7-13-17)23-18-14-8-3-9-15-18/h2-3,6-9,12-16,20H,1,4-5,10-11H2 |
| InChIKey | RIMGDXCGCPAKDN-UHFFFAOYSA-N |
| Mol Weight | 342.52 g/mol |
| Molecular Formula | C20H22OS2 |
| Exact Mass | 342.111208 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jj2tyitUb6v |
|---|---|
| Name | Ethanone, 1-cyclohexyl-2,2-bis(phenylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.111207675 u |
| Formula | C20H22OS2 |
| InChI | InChI=1S/C20H22OS2/c21-19(16-10-4-1-5-11-16)20(22-17-12-6-2-7-13-17)23-18-14-8-3-9-15-18/h2-3,6-9,12-16,20H,1,4-5,10-11H2 |
| InChIKey | RIMGDXCGCPAKDN-UHFFFAOYSA-N |
| Molecular Weight | 342.515 g/mol |
| SMILES | C(C(=O)C1CCCCC1)(SC=1C=CC=CC1)SC=1C=CC=CC1 |