| SpectraBase Compound ID | AGQnMV27R9L |
|---|---|
| InChI | InChI=1S/C18H16O3/c1-14(19)21-18(16-10-6-3-7-11-16)13-12-17(20)15-8-4-2-5-9-15/h2-13,18H,1H3/b13-12+ |
| InChIKey | PBKZUDXJJSGDDB-OUKQBFOZSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C18H16O3 |
| Exact Mass | 280.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ENBxXaUsjjo |
|---|---|
| Name | (2E)-4-Acetoxy-1,4-diphenylbut-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.109944372 u |
| Formula | C18H16O3 |
| InChI | InChI=1S/C18H16O3/c1-14(19)21-18(16-10-6-3-7-11-16)13-12-17(20)15-8-4-2-5-9-15/h2-13,18H,1H3/b13-12+ |
| InChIKey | PBKZUDXJJSGDDB-OUKQBFOZSA-N |
| SMILES | C(\C=C\C(C=1C=CC=CC1)OC(=O)C)(=O)C=1C=CC=CC1 |