| SpectraBase Compound ID | Lr1K8r3u602 |
|---|---|
| InChI | InChI=1S/C28H52O4/c1-5-9-13-17-21-25(31-27(29)23-19-15-11-7-3)26(22-18-14-10-6-2)32-28(30)24-20-16-12-8-4/h5-24H2,1-4H3/b26-25+ |
| InChIKey | VTJJCBAFZIUFBP-OCEACIFDSA-N |
| Mol Weight | 452.7 g/mol |
| Molecular Formula | C28H52O4 |
| Exact Mass | 452.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HGXYa4hXU45 |
|---|---|
| Name | 7-Tetradecene-7,8-diol diheptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 452.386560150 u |
| Formula | C28H52O4 |
| InChI | InChI=1S/C28H52O4/c1-5-9-13-17-21-25(31-27(29)23-19-15-11-7-3)26(22-18-14-10-6-2)32-28(30)24-20-16-12-8-4/h5-24H2,1-4H3/b26-25+ |
| InChIKey | VTJJCBAFZIUFBP-OCEACIFDSA-N |
| Molecular Weight | 452.720 g/mol |
| SMILES | C(O\C(=C/(OC(=O)CCCCCC)CCCCCC)CCCCCC)(=O)CCCCCC |