| SpectraBase Compound ID | HJsjhuIX4a8 |
|---|---|
| InChI | InChI=1S/C15H22OS/c1-4-5-6-15(11-13(3)16)17-14-9-7-12(2)8-10-14/h7-10,15H,4-6,11H2,1-3H3 |
| InChIKey | FWVHSPLOFARPIA-UHFFFAOYSA-N |
| Mol Weight | 250.4 g/mol |
| Molecular Formula | C15H22OS |
| Exact Mass | 250.139137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DvsPUf1YBfE |
|---|---|
| Name | 4-(p-Tolylthio)octan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.139136501 u |
| Formula | C15H22OS |
| InChI | InChI=1S/C15H22OS/c1-4-5-6-15(11-13(3)16)17-14-9-7-12(2)8-10-14/h7-10,15H,4-6,11H2,1-3H3 |
| InChIKey | FWVHSPLOFARPIA-UHFFFAOYSA-N |
| Molecular Weight | 250.400 g/mol |
| SMILES | C(SC=1C=CC(=CC1)C)(CC(=O)C)CCCC |