| SpectraBase Compound ID | 962FkDm5EP1 |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-3-5-7-14-18-24-20(22)16-13-11-9-8-10-12-15-19(21)23-17-6-4-2/h5,7H,3-4,6,8-18H2,1-2H3/b7-5+ |
| InChIKey | ADWMIMLGRNNQJH-FNORWQNLSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C20H36O4 |
| Exact Mass | 340.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FEzd1vEadAO |
|---|---|
| Name | Sebacic acid, butyl trans-3-hexenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.261359635 u |
| Formula | C20H36O4 |
| InChI | InChI=1S/C20H36O4/c1-3-5-7-14-18-24-20(22)16-13-11-9-8-10-12-15-19(21)23-17-6-4-2/h5,7H,3-4,6,8-18H2,1-2H3/b7-5+ |
| InChIKey | ADWMIMLGRNNQJH-FNORWQNLSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | CC\C=C\CCOC(CCCCCCCCC(OCCCC)=O)=O |