![2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-phenyl-butane-1,3-dione](/api/spectrum/CYIS0w9sY07/structure.png?h=300&w=458 "2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-phenyl-butane-1,3-dione")
| SpectraBase Compound ID | IEBeaOGc7Yk |
|---|---|
| InChI | InChI=1S/C20H26O2/c1-15(2)9-8-10-16(3)13-14-19(17(4)21)20(22)18-11-6-5-7-12-18/h5-7,9,11-13,19H,8,10,14H2,1-4H3/b16-13+ |
| InChIKey | IGBYBDXDOWPEHG-DTQAZKPQSA-N |
| Mol Weight | 298.43 g/mol |
| Molecular Formula | C20H26O2 |
| Exact Mass | 298.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CYIS0w9sY07 |
|---|---|
| Name | 2-[(2E)-3,7-Dimethylocta-2,6-dienyl]-1-phenyl-butane-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.193280075 u |
| Formula | C20H26O2 |
| InChI | InChI=1S/C20H26O2/c1-15(2)9-8-10-16(3)13-14-19(17(4)21)20(22)18-11-6-5-7-12-18/h5-7,9,11-13,19H,8,10,14H2,1-4H3/b16-13+ |
| InChIKey | IGBYBDXDOWPEHG-DTQAZKPQSA-N |
| SMILES | C(C(=O)C1=CC=CC=C1)(C\C=C\(CCC=C(C)C)C)C(=O)C |