| SpectraBase Compound ID | EjnRqZ2J44u |
|---|---|
| InChI | InChI=1S/C25H44O4/c1-5-6-13-20-28-24(26)17-11-9-7-8-10-12-18-25(27)29-21-19-23(4)16-14-15-22(2)3/h15,19H,5-14,16-18,20-21H2,1-4H3/b23-19+ |
| InChIKey | UVEHGSUFXDGKEJ-FCDQGJHFSA-N |
| Mol Weight | 408.6 g/mol |
| Molecular Formula | C25H44O4 |
| Exact Mass | 408.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJ0nFf0WISv |
|---|---|
| Name | Sebacic acid, geranyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.323959893 u |
| Formula | C25H44O4 |
| InChI | InChI=1S/C25H44O4/c1-5-6-13-20-28-24(26)17-11-9-7-8-10-12-18-25(27)29-21-19-23(4)16-14-15-22(2)3/h15,19H,5-14,16-18,20-21H2,1-4H3/b23-19+ |
| InChIKey | UVEHGSUFXDGKEJ-FCDQGJHFSA-N |
| Molecular Weight | 408.623 g/mol |
| SMILES | C(=CCC\C(=C\COC(CCCCCCCCC(OCCCCC)=O)=O)C)(C)C |