| SpectraBase Compound ID | FYPmAchyHiZ |
|---|---|
| InChI | InChI=1S/C21H16O3S/c22-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)25(23,24)19-14-8-3-9-15-19/h1-16H/b20-16- |
| InChIKey | JPMYPWYPVNCINE-SILNSSARSA-N |
| Mol Weight | 348.42 g/mol |
| Molecular Formula | C21H16O3S |
| Exact Mass | 348.082016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Crtg9ykPFY6 |
|---|---|
| Name | (Z)-1-Benzoyl-1-phenylsulfonyl-2-phenylethene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.082015546 u |
| Formula | C21H16O3S |
| InChI | InChI=1S/C21H16O3S/c22-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)25(23,24)19-14-8-3-9-15-19/h1-16H/b20-16- |
| InChIKey | JPMYPWYPVNCINE-SILNSSARSA-N |
| Molecular Weight | 348.416 g/mol |
| SMILES | C1(S(\C(C(=O)C2=CC=CC=C2)=C\C2=CC=CC=C2)(=O)=O)=CC=CC=C1 |