| SpectraBase Compound ID | BdfdGqtYBo0 |
|---|---|
| InChI | InChI=1S/C22H44O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23/h3-21H2,1-2H3 |
| InChIKey | TWBHLKOHVHGYGC-UHFFFAOYSA-N |
| Mol Weight | 324.6 g/mol |
| Molecular Formula | C22H44O |
| Exact Mass | 324.339216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ucse34tdKk |
|---|---|
| Name | 2-Docosanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.339216036 u |
| Formula | C22H44O |
| InChI | InChI=1S/C22H44O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23/h3-21H2,1-2H3 |
| InChIKey | TWBHLKOHVHGYGC-UHFFFAOYSA-N |
| Molecular Weight | 324.593 g/mol |
| SMILES | C(CCCCCCCCCC(C)=O)CCCCCCCCCC |