| SpectraBase Compound ID | CyZFM9oySyk |
|---|---|
| InChI | InChI=1S/C25H46O4/c1-3-5-7-9-12-15-19-23-29-25(27)21-17-14-11-10-13-16-20-24(26)28-22-18-8-6-4-2/h6,8H,3-5,7,9-23H2,1-2H3/b8-6+ |
| InChIKey | NOBJOOJHIWKWGM-SOFGYWHQSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C25H46O4 |
| Exact Mass | 410.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H6KZOcnSZur |
|---|---|
| Name | Sebacic acid, nonyl trans-3-hexenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.339609957 u |
| Formula | C25H46O4 |
| InChI | InChI=1S/C25H46O4/c1-3-5-7-9-12-15-19-23-29-25(27)21-17-14-11-10-13-16-20-24(26)28-22-18-8-6-4-2/h6,8H,3-5,7,9-23H2,1-2H3/b8-6+ |
| InChIKey | NOBJOOJHIWKWGM-SOFGYWHQSA-N |
| Molecular Weight | 410.639 g/mol |
| SMILES | CC\C=C\CCOC(CCCCCCCCC(OCCCCCCCCC)=O)=O |