| SpectraBase Compound ID | DBYDpeV8Zmo |
|---|---|
| InChI | InChI=1S/C21H16OS/c22-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)23-19-14-8-3-9-15-19/h1-16H/b21-16+ |
| InChIKey | IOFYFYMDFGHGJS-LTGZKZEYSA-N |
| Mol Weight | 316.42 g/mol |
| Molecular Formula | C21H16OS |
| Exact Mass | 316.092186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ElnCGwujVQv |
|---|---|
| Name | (E)-1,3-Diphenyl-3-phenylthio-prop-2-en-1-one |
| 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/c22-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)23-19-14-8-3-9-15-19/h1-16H/b21-16+ |
| InChIKey | IOFYFYMDFGHGJS-LTGZKZEYSA-N |
| Molecular Weight | 316.418 g/mol |
| SMILES | C(\C=C/(SC1=CC=CC=C1)C1=CC=CC=C1)(C=1C=CC=CC1)=O |