| SpectraBase Compound ID | I1qWSwUXuaK |
|---|---|
| InChI | InChI=1S/C29H58O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h3-28H2,1-2H3 |
| InChIKey | ZPVRGRJHOPAZOE-UHFFFAOYSA-N |
| Mol Weight | 422.8 g/mol |
| Molecular Formula | C29H58O |
| Exact Mass | 422.448766 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2agBKCZLORM |
|---|---|
| Name | Nonacosan-10-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.448766487 u |
| Formula | C29H58O |
| InChI | InChI=1S/C29H58O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h3-28H2,1-2H3 |
| InChIKey | ZPVRGRJHOPAZOE-UHFFFAOYSA-N |
| Molecular Weight | 422.782 g/mol |
| SMILES | CCCCCCCCCC(CCCCCCCCCCCCCCCCCCC)=O |