| SpectraBase Compound ID | KSzLXxvnrMC |
|---|---|
| InChI | InChI=1S/C16H14O3S/c17-16(15-9-5-2-6-10-15)13-20(18,19)12-11-14-7-3-1-4-8-14/h1-12H,13H2/b12-11+ |
| InChIKey | KOSXULAXDMTXIR-VAWYXSNFSA-N |
| Mol Weight | 286.35 g/mol |
| Molecular Formula | C16H14O3S |
| Exact Mass | 286.066365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IyDBkKGYBGs |
|---|---|
| Name | Benzoylmethyl .beta.-styryl sulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.066365482 u |
| Formula | C16H14O3S |
| InChI | InChI=1S/C16H14O3S/c17-16(15-9-5-2-6-10-15)13-20(18,19)12-11-14-7-3-1-4-8-14/h1-12H,13H2/b12-11+ |
| InChIKey | KOSXULAXDMTXIR-VAWYXSNFSA-N |
| SMILES | C(S(\C=C\C1=CC=CC=C1)(=O)=O)C(=O)C1=CC=CC=C1 |