| SpectraBase Compound ID | Ae6ZIEIQ2Bl |
|---|---|
| InChI | InChI=1S/C11H14O2S/c1-13-10-5-3-9(4-6-10)11(12)7-8-14-2/h3-6H,7-8H2,1-2H3 |
| InChIKey | JMCSSHFKPLKKBF-UHFFFAOYSA-N |
| Mol Weight | 210.29 g/mol |
| Molecular Formula | C11H14O2S |
| Exact Mass | 210.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BTFeNberHdk |
|---|---|
| Name | 1-(4-Methoxyphenyl)-3-(methylsulfanyl)-1-propanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.071450863 u |
| Formula | C11H14O2S |
| InChI | InChI=1S/C11H14O2S/c1-13-10-5-3-9(4-6-10)11(12)7-8-14-2/h3-6H,7-8H2,1-2H3 |
| InChIKey | JMCSSHFKPLKKBF-UHFFFAOYSA-N |
| Molecular Weight | 210.291 g/mol |
| SMILES | C(C=1C=CC(=CC1)OC)(=O)CCSC |