![cis,cis-3-[(9,12-Octadecadienyl)oxy]-1,2-propanediol](/api/spectrum/9mmTikAh9fl/structure.png?h=300&w=458 "cis,cis-3-[(9,12-Octadecadienyl)oxy]-1,2-propanediol")
| SpectraBase Compound ID | 7z64iE9tXJj |
|---|---|
| InChI | InChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h6-7,9-10,21-23H,2-5,8,11-20H2,1H3/b7-6-,10-9- |
| InChIKey | LJWCDOKHVAQUBC-HZJYTTRNSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C21H40O3 |
| Exact Mass | 340.297745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9mmTikAh9fl |
|---|---|
| Name | cis,cis-3-[(9,12-Octadecadienyl)oxy]-1,2-propanediol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.297745145 u |
| Formula | C21H40O3 |
| InChI | InChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h6-7,9-10,21-23H,2-5,8,11-20H2,1H3/b7-6-,10-9- |
| InChIKey | LJWCDOKHVAQUBC-HZJYTTRNSA-N |
| Molecular Weight | 340.548 g/mol |
| SMILES | OCC(COCCCCCCCC\C=C/C\C=C/CCCCC)O |