| SpectraBase Compound ID | 9z5UL8oyh5R |
|---|---|
| InChI | InChI=1S/C20H26O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,14H,11,13H2,1-5H3/b8-6+,10-9+,15-7+,16-12+ |
| InChIKey | PLILDISEFZJECC-RMWYGNQTSA-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 | 4xYehU5USVD |
|---|---|
| Name | 4-Oxoretinal |
| 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(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,14H,11,13H2,1-5H3/b8-6+,10-9+,15-7+,16-12+ |
| InChIKey | PLILDISEFZJECC-RMWYGNQTSA-N |
| SMILES | C1(=C(C(=O)CCC1(C)C)C)\C=C\C(=C\C=C\C(=C\C=O)C)C |