| SpectraBase Compound ID | DsdwxewvtZi |
|---|---|
| InChI | InChI=1S/C24H44O4/c1-4-6-7-8-11-14-17-21-27-23(25)19-15-12-9-10-13-16-20-24(26)28-22(3)18-5-2/h5,22H,2,4,6-21H2,1,3H3 |
| InChIKey | PWKPWUQOAOTEGA-UHFFFAOYSA-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 | GHpgZ8jxNvw |
|---|---|
| Name | Sebacic acid, nonyl pent-4-en-2-yl 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/c1-4-6-7-8-11-14-17-21-27-23(25)19-15-12-9-10-13-16-20-24(26)28-22(3)18-5-2/h5,22H,2,4,6-21H2,1,3H3 |
| InChIKey | PWKPWUQOAOTEGA-UHFFFAOYSA-N |
| Molecular Weight | 396.612 g/mol |
| SMILES | C(CCC(OC(C)CC=C)=O)CCCCCC(OCCCCCCCCC)=O |