![Ethanone, 2-(acetyloxy)-2-[(4-methylphenyl)thio]-1-phenyl-](/api/spectrum/3f0yU7iLrJB/structure.png?h=300&w=458 "Ethanone, 2-(acetyloxy)-2-[(4-methylphenyl)thio]-1-phenyl-")
| SpectraBase Compound ID | HbL5LXG4Z40 |
|---|---|
| InChI | InChI=1S/C17H16O3S/c1-13-7-9-15(10-8-13)21-17(20-12-11-18)16(19)14-5-3-2-4-6-14/h2-11,17H,12H2,1H3 |
| InChIKey | AZMXCHFCCGKYQB-UHFFFAOYSA-N |
| Mol Weight | 300.37 g/mol |
| Molecular Formula | C17H16O3S |
| Exact Mass | 300.082016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3f0yU7iLrJB |
|---|---|
| Name | Ethanone, 2-(acetyloxy)-2-[(4-methylphenyl)thio]-1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.082015546 u |
| Formula | C17H16O3S |
| InChI | InChI=1S/C17H16O3S/c1-13-7-9-15(10-8-13)21-17(20-12-11-18)16(19)14-5-3-2-4-6-14/h2-11,17H,12H2,1H3 |
| InChIKey | AZMXCHFCCGKYQB-UHFFFAOYSA-N |
| SMILES | C(C(=O)C1=CC=CC=C1)(SC1=CC=C(C=C1)C)OCC=O |