| SpectraBase Compound ID | BkLvt9LKzea |
|---|---|
| InChI | InChI=1S/C24H44O4/c1-3-5-7-8-11-14-18-22-28-24(26)20-16-13-10-9-12-15-19-23(25)27-21-17-6-4-2/h11,14H,3-10,12-13,15-22H2,1-2H3/b14-11- |
| InChIKey | YGJDSBUVWVZMEW-KAMYIIQDSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C24H44O4 |
| Exact Mass | 396.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EFiHsifHEIq |
|---|---|
| Name | Sebacic acid, cis-non-3-enyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.323959893 u |
| Formula | C24H44O4 |
| InChI | InChI=1S/C24H44O4/c1-3-5-7-8-11-14-18-22-28-24(26)20-16-13-10-9-12-15-19-23(25)27-21-17-6-4-2/h11,14H,3-10,12-13,15-22H2,1-2H3/b14-11- |
| InChIKey | YGJDSBUVWVZMEW-KAMYIIQDSA-N |
| Molecular Weight | 396.612 g/mol |
| SMILES | C(CCCCCCCCC(OCC\C=C/CCCCC)=O)(OCCCCC)=O |