| SpectraBase Compound ID | Lhl9qo3R7N0 |
|---|---|
| InChI | InChI=1S/C18H20OS/c1-2-3-12-18(15-16-10-6-4-7-11-16)20(19)17-13-8-5-9-14-17/h4-14H,2-3,15H2,1H3/b18-12- |
| InChIKey | XFHZTYWXZYIMLY-PDGQHHTCSA-N |
| Mol Weight | 284.42 g/mol |
| Molecular Formula | C18H20OS |
| Exact Mass | 284.123486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BQPviEcfBh8 |
|---|---|
| Name | 1-Phenyl-2-phenylsulfoxo-hexa-2-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.123486437 u |
| Formula | C18H20OS |
| InChI | InChI=1S/C18H20OS/c1-2-3-12-18(15-16-10-6-4-7-11-16)20(19)17-13-8-5-9-14-17/h4-14H,2-3,15H2,1H3/b18-12- |
| InChIKey | XFHZTYWXZYIMLY-PDGQHHTCSA-N |
| SMILES | C(\C(S(=O)C1=CC=CC=C1)=C\CCC)C=1C=CC=CC1 |