| SpectraBase Compound ID | 4ZgUVaWxJ0I |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-4-6-8-13-17-21(3)27-23(25)19-15-12-10-9-11-14-18-22(24)26-20-16-7-5-2/h13,17,21H,4-12,14-16,18-20H2,1-3H3/b17-13+ |
| InChIKey | CNENKBPJYBVRCR-GHRIWEEISA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C23H42O4 |
| Exact Mass | 382.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F9RJ7Zoocj2 |
|---|---|
| Name | Sebacic acid, oct-3-en-2-yl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.308309828 u |
| Formula | C23H42O4 |
| InChI | InChI=1S/C23H42O4/c1-4-6-8-13-17-21(3)27-23(25)19-15-12-10-9-11-14-18-22(24)26-20-16-7-5-2/h13,17,21H,4-12,14-16,18-20H2,1-3H3/b17-13+ |
| InChIKey | CNENKBPJYBVRCR-GHRIWEEISA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | C(\C=C\CCCC)(OC(CCCCCCCCC(OCCCCC)=O)=O)C |