| SpectraBase Compound ID | 4uuM1vWE47c |
|---|---|
| InChI | InChI=1S/C22H44O3/c1-25-22(24)20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23/h23H,2-21H2,1H3 |
| InChIKey | YCYYZXLJQNQRSH-UHFFFAOYSA-N |
| Mol Weight | 356.6 g/mol |
| Molecular Formula | C22H44O3 |
| Exact Mass | 356.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HYcAdy5y4Xd |
|---|---|
| Name | 21-Hydroxyheneicosanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.329045274 u |
| Formula | C22H44O3 |
| InChI | InChI=1S/C22H44O3/c1-25-22(24)20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23/h23H,2-21H2,1H3 |
| InChIKey | YCYYZXLJQNQRSH-UHFFFAOYSA-N |
| Molecular Weight | 356.591 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCCCCCO)(=O)OC |