| SpectraBase Compound ID | CxXJO74QxwQ |
|---|---|
| InChI | InChI=1S/C28H32O4/c29-24(17-10-2-1-5-12-22-13-6-3-7-14-22)20-26(31)28-25(30)18-11-19-27(28)32-21-23-15-8-4-9-16-23/h3-4,6-9,11,13-16,18-19,24,29-30H,1-2,5,10,12,17,20-21H2 |
| InChIKey | MVFZCKSUDGDZET-UHFFFAOYSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C28H32O4 |
| Exact Mass | 432.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HSuvAkamQh7 |
|---|---|
| Name | 1-(2-Benzoxy-6-hydroxy-phenyl)-3-hydroxy-9-phenyl-nonan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.230059506 u |
| Formula | C28H32O4 |
| InChI | InChI=1S/C28H32O4/c29-24(17-10-2-1-5-12-22-13-6-3-7-14-22)20-26(31)28-25(30)18-11-19-27(28)32-21-23-15-8-4-9-16-23/h3-4,6-9,11,13-16,18-19,24,29-30H,1-2,5,10,12,17,20-21H2 |
| InChIKey | MVFZCKSUDGDZET-UHFFFAOYSA-N |
| Molecular Weight | 432.560 g/mol |
| SMILES | C(CC(CCCCCCC=1C=CC=CC1)O)(=O)C=1C(=CC=CC1O)OCC=1C=CC=CC1 |