| SpectraBase Compound ID | 87C6wWpB1vl |
|---|---|
| InChI | InChI=1S/C14H20O2S/c1-3-13(17-11-7-10-16-2)14(15)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11H2,1-2H3 |
| InChIKey | MTZWUYLJEBVXKO-UHFFFAOYSA-N |
| Mol Weight | 252.37 g/mol |
| Molecular Formula | C14H20O2S |
| Exact Mass | 252.118401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BSIyHghhxAv |
|---|---|
| Name | .alpha.-(3-Methoxypropylthio)butyrophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.118401056 u |
| Formula | C14H20O2S |
| InChI | InChI=1S/C14H20O2S/c1-3-13(17-11-7-10-16-2)14(15)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11H2,1-2H3 |
| InChIKey | MTZWUYLJEBVXKO-UHFFFAOYSA-N |
| Molecular Weight | 252.372 g/mol |
| SMILES | C(=O)(C1=CC=CC=C1)C(SCCCOC)CC |