| SpectraBase Compound ID | JLAjeCTxApX |
|---|---|
| InChI | InChI=1S/C21H16OS/c22-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)23-19-14-8-3-9-15-19/h1-16H |
| InChIKey | FEVHHCFGMZREIC-UHFFFAOYSA-N |
| Mol Weight | 316.42 g/mol |
| Molecular Formula | C21H16OS |
| Exact Mass | 316.092186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IMEYxp697C1 |
|---|---|
| Name | alpha-(Phenylthio)chalcone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.092186308 u |
| Formula | C21H16OS |
| InChI | InChI=1S/C21H16OS/c22-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)23-19-14-8-3-9-15-19/h1-16H |
| InChIKey | FEVHHCFGMZREIC-UHFFFAOYSA-N |
| Molecular Weight | 316.418 g/mol |
| SMILES | C1=CC=CC=C1C=C(C(C1=CC=CC=C1)=O)SC1=CC=CC=C1 |