| SpectraBase Compound ID | 3y8ExQ1m0tE |
|---|---|
| InChI | InChI=1S/C21H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)20(23)21(24)25-2/h19-20,22-23H,3-18H2,1-2H3 |
| InChIKey | VZCUAXSCXIQAPA-UHFFFAOYSA-N |
| Mol Weight | 358.6 g/mol |
| Molecular Formula | C21H42O4 |
| Exact Mass | 358.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Hhwtg4owfCK |
|---|---|
| Name | Methyl 2,3-dihydroxyeicosanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.308309828 u |
| Formula | C21H42O4 |
| InChI | InChI=1S/C21H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)20(23)21(24)25-2/h19-20,22-23H,3-18H2,1-2H3 |
| InChIKey | VZCUAXSCXIQAPA-UHFFFAOYSA-N |
| Molecular Weight | 358.563 g/mol |
| SMILES | C(C(=O)OC)(C(O)CCCCCCCCCCCCCCCCC)O |