| SpectraBase Compound ID | iX4Xf2AQM5 |
|---|---|
| InChI | InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)17(20)18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22) |
| InChIKey | UAZFXPRZXKJSFJ-UHFFFAOYSA-N |
| Mol Weight | 316.5 g/mol |
| Molecular Formula | C18H36O4 |
| Exact Mass | 316.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8n536IG34nx |
|---|---|
| Name | 2,3-Dihydroxystearic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.261359635 u |
| Formula | C18H36O4 |
| InChI | InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)17(20)18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22) |
| InChIKey | UAZFXPRZXKJSFJ-UHFFFAOYSA-N |
| Molecular Weight | 316.482 g/mol |
| SMILES | CCCCCCCCCCCCCCCC(C(C(O)=O)O)O |