![3-[(1E,3E,5E,7E)-dodeca-1,3,5,7-tetraenoxy]propane-1,2-diol](/api/spectrum/7XA9ChdKuHI/structure.png?h=300&w=458 "3-[(1E,3E,5E,7E)-dodeca-1,3,5,7-tetraenoxy]propane-1,2-diol")
| SpectraBase Compound ID | GA4pDTYKCPn |
|---|---|
| InChI | InChI=1S/C15H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h5-12,15-17H,2-4,13-14H2,1H3/b6-5+,8-7+,10-9+,12-11+ |
| InChIKey | PSIBJXARPODUBR-AQPMYLLTSA-N |
| Mol Weight | 252.35 g/mol |
| Molecular Formula | C15H24O3 |
| Exact Mass | 252.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7XA9ChdKuHI |
|---|---|
| Name | 3-[(1E,3E,5E,7E)-Dodeca-1,3,5,7-tetraenoxy]propane-1,2-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.172544630 u |
| Formula | C15H24O3 |
| InChI | InChI=1S/C15H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h5-12,15-17H,2-4,13-14H2,1H3/b6-5+,8-7+,10-9+,12-11+ |
| InChIKey | PSIBJXARPODUBR-AQPMYLLTSA-N |
| Molecular Weight | 252.354 g/mol |
| SMILES | C(\C=C\C=C\C=C\C=C\OCC(O)CO)CCC |