| SpectraBase Compound ID | 6ARjhQR6BuK |
|---|---|
| InChI | InChI=1S/C16H16O3S/c17-16(14-8-3-1-4-9-14)12-7-13-20(18,19)15-10-5-2-6-11-15/h1-11,13,16-17H,12H2/b13-7+ |
| InChIKey | SGWRCNGDQNBEOC-NTUHNPAUSA-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 | 15A1pqaTkOw |
|---|---|
| Name | (E)-1-Phenyl-4-(phenylsulfonyl)-3-buten-1-ol |
| 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/c17-16(14-8-3-1-4-9-14)12-7-13-20(18,19)15-10-5-2-6-11-15/h1-11,13,16-17H,12H2/b13-7+ |
| InChIKey | SGWRCNGDQNBEOC-NTUHNPAUSA-N |
| SMILES | C(\C=C\S(=O)(=O)C1=CC=CC=C1)C(C=1C=CC=CC1)O |