| SpectraBase Compound ID | LeleX5N7ATT |
|---|---|
| InChI | InChI=1S/C28H56O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3 |
| InChIKey | DBADHDAADPVAEV-UHFFFAOYSA-N |
| Mol Weight | 408.8 g/mol |
| Molecular Formula | C28H56O |
| Exact Mass | 408.433116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ORt0ctA26i |
|---|---|
| Name | Octacosan-14-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.433116422 u |
| Formula | C28H56O |
| InChI | InChI=1S/C28H56O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3 |
| InChIKey | DBADHDAADPVAEV-UHFFFAOYSA-N |
| Molecular Weight | 408.755 g/mol |
| SMILES | CCCCCCCCCCCCCC(CCCCCCCCCCCCCC)=O |