| SpectraBase Compound ID | 4lklkCo7bHI |
|---|---|
| InChI | InChI=1S/C14H20OS/c1-2-3-4-6-9-13(15)12-16-14-10-7-5-8-11-14/h5,7-8,10-11H,2-4,6,9,12H2,1H3 |
| InChIKey | HCCRWWQWCRGLLI-UHFFFAOYSA-N |
| Mol Weight | 236.37 g/mol |
| Molecular Formula | C14H20OS |
| Exact Mass | 236.123486 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 | FwplH2AcmX0 |
|---|---|
| Name | 2-Octanone, 1-(phenylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.123486437 u |
| Formula | C14H20OS |
| InChI | InChI=1S/C14H20OS/c1-2-3-4-6-9-13(15)12-16-14-10-7-5-8-11-14/h5,7-8,10-11H,2-4,6,9,12H2,1H3 |
| InChIKey | HCCRWWQWCRGLLI-UHFFFAOYSA-N |
| Molecular Weight | 236.373 g/mol |
| SMILES | C(SC=1C=CC=CC1)C(=O)CCCCCC |