| SpectraBase Compound ID | HXx4PXhqMcy |
|---|---|
| InChI | InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)18-21(24)19-22/h21-22,24H,2-19H2,1H3 |
| InChIKey | YWDWIDGRXAGHGY-UHFFFAOYSA-N |
| Mol Weight | 342.6 g/mol |
| Molecular Formula | C21H42O3 |
| Exact Mass | 342.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2nCsljhg7sP |
|---|---|
| Name | 1,2-bis(Oxidanyl)henicosan-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.313395209 u |
| Formula | C21H42O3 |
| InChI | InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)18-21(24)19-22/h21-22,24H,2-19H2,1H3 |
| InChIKey | YWDWIDGRXAGHGY-UHFFFAOYSA-N |
| Molecular Weight | 342.564 g/mol |
| SMILES | C(C(=O)CCCCCCCCCCCCCCCCC)C(O)CO |