| SpectraBase Compound ID | 7AKItN9I7bw |
|---|---|
| InChI | InChI=1S/C16H15FOS/c1-12(18)11-16(13-5-3-2-4-6-13)19-15-9-7-14(17)8-10-15/h2-10,16H,11H2,1H3 |
| InChIKey | BBKKTWOUYATDBM-UHFFFAOYSA-N |
| Mol Weight | 274.35 g/mol |
| Molecular Formula | C16H15FOS |
| Exact Mass | 274.082764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AorlVLyfKZa |
|---|---|
| Name | 4-(p-Fluorophenylthio)-4-phenylbutan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.082764439 u |
| Formula | C16H15FOS |
| InChI | InChI=1S/C16H15FOS/c1-12(18)11-16(13-5-3-2-4-6-13)19-15-9-7-14(17)8-10-15/h2-10,16H,11H2,1H3 |
| InChIKey | BBKKTWOUYATDBM-UHFFFAOYSA-N |
| Molecular Weight | 274.353 g/mol |
| SMILES | C(SC1=CC=C(C=C1)F)(CC(=O)C)C=1C=CC=CC1 |