![3-[(1Z,5Z)-17-hydroxyoctadeca-1,5-dien-3-ynoxy]propane-1,2-diol](/api/spectrum/7PVdD6CdC4v/structure.png?h=300&w=458 "3-[(1Z,5Z)-17-hydroxyoctadeca-1,5-dien-3-ynoxy]propane-1,2-diol")
| SpectraBase Compound ID | 2O6R7g2knfc |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-20(23)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-25-19-21(24)18-22/h7,9,15,17,20-24H,2-6,8,10,12,14,16,18-19H2,1H3/b9-7-,17-15- |
| InChIKey | JPVHGPAQJWEPFH-UNNWTIKVSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7PVdD6CdC4v |
|---|---|
| Name | 3-[(1Z,5Z)-17-Hydroxyoctadeca-1,5-dien-3-ynoxy]propane-1,2-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.261359635 u |
| Formula | C21H36O4 |
| InChI | InChI=1S/C21H36O4/c1-20(23)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-25-19-21(24)18-22/h7,9,15,17,20-24H,2-6,8,10,12,14,16,18-19H2,1H3/b9-7-,17-15- |
| InChIKey | JPVHGPAQJWEPFH-UNNWTIKVSA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | C(#C\C=C/CCCCCCCCCCC(O)C)\C=C/OCC(O)CO |