| SpectraBase Compound ID | 8ouTfpzzYAv |
|---|---|
| InChI | InChI=1S/C26H48O4/c1-3-5-7-9-10-13-16-20-24-30-26(28)22-18-15-12-11-14-17-21-25(27)29-23-19-8-6-4-2/h10,13H,3-9,11-12,14-24H2,1-2H3/b13-10+ |
| InChIKey | WPDSDDQORBTJLJ-JLHYYAGUSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C26H48O4 |
| Exact Mass | 424.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3xz1kyrMKkF |
|---|---|
| Name | Sebacic acid, dec-4-enyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.355260022 u |
| Formula | C26H48O4 |
| InChI | InChI=1S/C26H48O4/c1-3-5-7-9-10-13-16-20-24-30-26(28)22-18-15-12-11-14-17-21-25(27)29-23-19-8-6-4-2/h10,13H,3-9,11-12,14-24H2,1-2H3/b13-10+ |
| InChIKey | WPDSDDQORBTJLJ-JLHYYAGUSA-N |
| Molecular Weight | 424.666 g/mol |
| SMILES | C(\C=C\CCCCC)CCOC(CCCCCCCCC(OCCCCCC)=O)=O |