| SpectraBase Compound ID | L5LQT7VJIST |
|---|---|
| InChI | InChI=1S/C16H22OS/c17-15(13-14-7-3-1-4-8-14)11-12-18-16-9-5-2-6-10-16/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2 |
| InChIKey | QPVDEPYKTNACAN-UHFFFAOYSA-N |
| Mol Weight | 262.41 g/mol |
| Molecular Formula | C16H22OS |
| Exact Mass | 262.139137 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 | CyfWaGxdpg0 |
|---|---|
| Name | 2-Butanone, 1-cyclohexyl-4-(phenylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.139136501 u |
| Formula | C16H22OS |
| InChI | InChI=1S/C16H22OS/c17-15(13-14-7-3-1-4-8-14)11-12-18-16-9-5-2-6-10-16/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2 |
| InChIKey | QPVDEPYKTNACAN-UHFFFAOYSA-N |
| Molecular Weight | 262.411 g/mol |
| SMILES | C(=O)(CC1CCCCC1)CCSC1=CC=CC=C1 |