| SpectraBase Compound ID | 2LlHMi6UheT |
|---|---|
| InChI | InChI=1S/C16H16O3S/c1-13-7-9-16(10-8-13)20(18,19)12-15(17)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3 |
| InChIKey | VAHGDNXCPGLYKG-UHFFFAOYSA-N |
| Mol Weight | 288.36 g/mol |
| Molecular Formula | C16H16O3S |
| Exact Mass | 288.082016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 56rv3nypOVz |
|---|---|
| Name | 1-(4-Methylphenyl)sulfonyl-3-phenyl-2-propanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.082015546 u |
| Formula | C16H16O3S |
| InChI | InChI=1S/C16H16O3S/c1-13-7-9-16(10-8-13)20(18,19)12-15(17)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3 |
| InChIKey | VAHGDNXCPGLYKG-UHFFFAOYSA-N |
| SMILES | C(S(C=1C=CC(=CC1)C)(=O)=O)C(=O)CC=1C=CC=CC1 |