| SpectraBase Compound ID | 3Gygw9ZhzOC |
|---|---|
| InChI | InChI=1S/C17H16O4S/c1-21-17(18)16(12-14-8-4-2-5-9-14)22(19,20)13-15-10-6-3-7-11-15/h2-12H,13H2,1H3/b16-12+ |
| InChIKey | LBUFJHBYPPOYBV-FOWTUZBSSA-N |
| Mol Weight | 316.37 g/mol |
| Molecular Formula | C17H16O4S |
| Exact Mass | 316.07693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQWyRHFQnk5 |
|---|---|
| Name | (E)-A-Benzylsulfonyl-B-phenylacrylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.076930165 u |
| Formula | C17H16O4S |
| InChI | InChI=1S/C17H16O4S/c1-21-17(18)16(12-14-8-4-2-5-9-14)22(19,20)13-15-10-6-3-7-11-15/h2-12H,13H2,1H3/b16-12+ |
| InChIKey | LBUFJHBYPPOYBV-FOWTUZBSSA-N |
| Molecular Weight | 316.371 g/mol |
| SMILES | C(\C(S(CC=1C=CC=CC1)(=O)=O)=C/C1=CC=CC=C1)(=O)OC |