| SpectraBase Compound ID | I5WVFZNvF6W |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-3-5-7-8-13-16-20-26-22(24)18-15-12-10-9-11-14-17-21(23)25-19-6-4-2/h4H,2-3,5-20H2,1H3 |
| InChIKey | ZVTMFHJASTZZKZ-UHFFFAOYSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FgyKLEUViXV |
|---|---|
| Name | Sebacic acid, but-3-enyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-3-5-7-8-13-16-20-26-22(24)18-15-12-10-9-11-14-17-21(23)25-19-6-4-2/h4H,2-3,5-20H2,1H3 |
| InChIKey | ZVTMFHJASTZZKZ-UHFFFAOYSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(CCOC(CCCCCCCCC(OCCCCCCCC)=O)=O)=C |