| SpectraBase Compound ID | 7p67JrpbmrF |
|---|---|
| InChI | InChI=1S/C14H20OS/c1-4-5-14(10-12(3)15)16-13-8-6-11(2)7-9-13/h6-9,14H,4-5,10H2,1-3H3 |
| InChIKey | PNXSYRIYDIBVDR-UHFFFAOYSA-N |
| Mol Weight | 236.37 g/mol |
| Molecular Formula | C14H20OS |
| Exact Mass | 236.123486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LX66Jce7O1K |
|---|---|
| Name | 4-p-Tolylsulfanyl-heptan-2-one |
| 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/c1-4-5-14(10-12(3)15)16-13-8-6-11(2)7-9-13/h6-9,14H,4-5,10H2,1-3H3 |
| InChIKey | PNXSYRIYDIBVDR-UHFFFAOYSA-N |
| Molecular Weight | 236.373 g/mol |
| SMILES | C(CC)C(CC(C)=O)SC1=CC=C(C=C1)C |