| SpectraBase Compound ID | JmmiWtViKNS |
|---|---|
| InChI | InChI=1S/C13H16OS/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2 |
| InChIKey | YDDAIPNDFFZIAR-UHFFFAOYSA-N |
| Mol Weight | 220.33 g/mol |
| Molecular Formula | C13H16OS |
| Exact Mass | 220.092186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4UZxfibD3NR |
|---|---|
| Name | Cyclohexanecarbothioic acid, S-phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.092186308 u |
| Formula | C13H16OS |
| InChI | InChI=1S/C13H16OS/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2 |
| InChIKey | YDDAIPNDFFZIAR-UHFFFAOYSA-N |
| Molecular Weight | 220.330 g/mol |
| SMILES | C1C(CCCC1)C(SC=1C=CC=CC1)=O |