| SpectraBase Compound ID | Aw9wIwIi4pK |
|---|---|
| InChI | InChI=1S/C10H12O2S/c1-8(11)7-13-10-5-3-4-9(6-10)12-2/h3-6H,7H2,1-2H3 |
| InChIKey | JKFJOJZEGULZFY-UHFFFAOYSA-N |
| Mol Weight | 196.26 g/mol |
| Molecular Formula | C10H12O2S |
| Exact Mass | 196.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4xMlQFV6rCe |
|---|---|
| Name | 1-(3-Methoxyphenylthio)propan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.055800798 u |
| Formula | C10H12O2S |
| InChI | InChI=1S/C10H12O2S/c1-8(11)7-13-10-5-3-4-9(6-10)12-2/h3-6H,7H2,1-2H3 |
| InChIKey | JKFJOJZEGULZFY-UHFFFAOYSA-N |
| Molecular Weight | 196.264 g/mol |
| SMILES | C1(SCC(=O)C)=CC(OC)=CC=C1 |