| SpectraBase Compound ID | AxBDOkFXLGq |
|---|---|
| InChI | InChI=1S/C26H48O4/c1-4-5-6-7-8-9-12-15-18-22-29-25(27)19-16-13-10-11-14-17-20-26(28)30-23-21-24(2)3/h21H,4-20,22-23H2,1-3H3 |
| InChIKey | UZFCIOJYLVFSHX-UHFFFAOYSA-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 | BGjHuBofONF |
|---|---|
| Name | Sebacic acid, 3-methylbut-2-enyl undecyl 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/c1-4-5-6-7-8-9-12-15-18-22-29-25(27)19-16-13-10-11-14-17-20-26(28)30-23-21-24(2)3/h21H,4-20,22-23H2,1-3H3 |
| InChIKey | UZFCIOJYLVFSHX-UHFFFAOYSA-N |
| Molecular Weight | 424.666 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCCCCCCCC)=O)(OCC=C(C)C)=O |