| SpectraBase Compound ID | GWqc0Xq0CCe |
|---|---|
| InChI | InChI=1S/C22H42O3/c1-4-5-6-7-8-9-10-11-12-13-16-20(2)17-14-15-18-21(23)19-22(24)25-3/h20H,4-19H2,1-3H3 |
| InChIKey | IIIBDYBAUDVXIG-UHFFFAOYSA-N |
| Mol Weight | 354.6 g/mol |
| Molecular Formula | C22H42O3 |
| Exact Mass | 354.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fu5n6jlmQWw |
|---|---|
| Name | Methyl 8-methyl-3-oxoicosanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.313395209 u |
| Formula | C22H42O3 |
| InChI | InChI=1S/C22H42O3/c1-4-5-6-7-8-9-10-11-12-13-16-20(2)17-14-15-18-21(23)19-22(24)25-3/h20H,4-19H2,1-3H3 |
| InChIKey | IIIBDYBAUDVXIG-UHFFFAOYSA-N |
| Molecular Weight | 354.575 g/mol |
| SMILES | C(CC(CCCCC(CCCCCCCCCCCC)C)=O)(=O)OC |