| SpectraBase Compound ID | HjSfW0xt1QA |
|---|---|
| InChI | InChI=1S/C28H56O2/c1-2-3-4-22-25-28(30)26-23-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-24-27-29/h29H,2-27H2,1H3 |
| InChIKey | PTZHJVIKISISFU-UHFFFAOYSA-N |
| Mol Weight | 424.8 g/mol |
| Molecular Formula | C28H56O2 |
| Exact Mass | 424.428031 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FgBeRRvxeKb |
|---|---|
| Name | 1-Hydroxyoctacosan-22-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.428031041 u |
| Formula | C28H56O2 |
| InChI | InChI=1S/C28H56O2/c1-2-3-4-22-25-28(30)26-23-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-24-27-29/h29H,2-27H2,1H3 |
| InChIKey | PTZHJVIKISISFU-UHFFFAOYSA-N |
| Molecular Weight | 424.754 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCCCCCC(CCCCCC)=O)O |