| SpectraBase Compound ID | ANqDGTviyV0 |
|---|---|
| InChI | InChI=1S/C12H14OS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2 |
| InChIKey | RKYGZMWFURXDKP-UHFFFAOYSA-N |
| Mol Weight | 206.3 g/mol |
| Molecular Formula | C12H14OS |
| Exact Mass | 206.076536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KtwNYcMhkAI |
|---|---|
| Name | 2-Phenylsulfanyl-cyclohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.076536244 u |
| Formula | C12H14OS |
| InChI | InChI=1S/C12H14OS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2 |
| InChIKey | RKYGZMWFURXDKP-UHFFFAOYSA-N |
| Molecular Weight | 206.303 g/mol |
| SMILES | C1C(C(CCC1)SC1=CC=CC=C1)=O |