| SpectraBase Compound ID | KfKiWn7DatR |
|---|---|
| InChI | InChI=1S/C15H14O2S/c1-12(16)15(13-8-4-2-5-9-13)18(17)14-10-6-3-7-11-14/h2-11,15H,1H3 |
| InChIKey | HCHZVSBSOUSBKZ-UHFFFAOYSA-N |
| Mol Weight | 258.33 g/mol |
| Molecular Formula | C15H14O2S |
| Exact Mass | 258.071451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LPxlKZsxU9U |
|---|---|
| Name | 1-Phenyl-1-(phenylsulfinyl)-2-propanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.071450863 u |
| Formula | C15H14O2S |
| InChI | InChI=1S/C15H14O2S/c1-12(16)15(13-8-4-2-5-9-13)18(17)14-10-6-3-7-11-14/h2-11,15H,1H3 |
| InChIKey | HCHZVSBSOUSBKZ-UHFFFAOYSA-N |
| SMILES | C(S(=O)C1=CC=CC=C1)(C(=O)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.886904 |