| SpectraBase Compound ID | 6xdjFR2Bbb9 |
|---|---|
| InChI | InChI=1S/C22H28O2S/c1-2-3-4-11-16-21(23)22(18-17-19-12-7-5-8-13-19)25(24)20-14-9-6-10-15-20/h5-10,12-15,22H,2-4,11,16-18H2,1H3 |
| InChIKey | KAHFTWSVDKRTNZ-UHFFFAOYSA-N |
| Mol Weight | 356.52 g/mol |
| Molecular Formula | C22H28O2S |
| Exact Mass | 356.181001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8He5iZHJlh5 |
|---|---|
| Name | 1-Phenyl-3-(phenylsulfinyl)-4-decanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.181001314 u |
| Formula | C22H28O2S |
| InChI | InChI=1S/C22H28O2S/c1-2-3-4-11-16-21(23)22(18-17-19-12-7-5-8-13-19)25(24)20-14-9-6-10-15-20/h5-10,12-15,22H,2-4,11,16-18H2,1H3 |
| InChIKey | KAHFTWSVDKRTNZ-UHFFFAOYSA-N |
| Molecular Weight | 356.524 g/mol |
| SMILES | C(S(=O)C1=CC=CC=C1)(CCC=1C=CC=CC1)C(=O)CCCCCC |