| SpectraBase Compound ID | 5lidK3uwS1f |
|---|---|
| InChI | InChI=1S/C25H46O4/c1-3-5-7-8-9-12-15-19-23-29-25(27)21-17-14-11-10-13-16-20-24(26)28-22-18-6-4-2/h9,12H,3-8,10-11,13-23H2,1-2H3/b12-9+ |
| InChIKey | XFLOKNYQGFFTTG-FMIVXFBMSA-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 | Fk4xndzvn16 |
|---|---|
| Name | Sebacic acid, dec-4-enyl pentyl 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/c1-3-5-7-8-9-12-15-19-23-29-25(27)21-17-14-11-10-13-16-20-24(26)28-22-18-6-4-2/h9,12H,3-8,10-11,13-23H2,1-2H3/b12-9+ |
| InChIKey | XFLOKNYQGFFTTG-FMIVXFBMSA-N |
| Molecular Weight | 410.639 g/mol |
| SMILES | C(\C=C\CCCCC)CCOC(CCCCCCCCC(OCCCCC)=O)=O |