| SpectraBase Compound ID | IUrzzik2uaN |
|---|---|
| InChI | InChI=1S/C14H18OS2/c15-13(12-6-2-1-3-7-12)8-4-5-9-14-16-10-11-17-14/h1-3,6-7,14H,4-5,8-11H2 |
| InChIKey | PFLQEQZBBYCRNX-UHFFFAOYSA-N |
| Mol Weight | 266.42 g/mol |
| Molecular Formula | C14H18OS2 |
| Exact Mass | 266.079908 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JM0wcjCi882 |
|---|---|
| Name | 5-(1,3-Dithiolan-2-yl)-1-phenyl-1-pentanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.079907547 u |
| Formula | C14H18OS2 |
| InChI | InChI=1S/C14H18OS2/c15-13(12-6-2-1-3-7-12)8-4-5-9-14-16-10-11-17-14/h1-3,6-7,14H,4-5,8-11H2 |
| InChIKey | PFLQEQZBBYCRNX-UHFFFAOYSA-N |
| SMILES | C1(SCCS1)CCCCC(=O)C1=CC=CC=C1 |