| SpectraBase Compound ID | GHq6oeYEfZM |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-4-7-14-19-25-21(23)17-12-10-8-9-11-13-18-22(24)26-20(15-5-2)16-6-3/h20H,4-19H2,1-3H3 |
| InChIKey | FHVFOTGYIUFUPC-UHFFFAOYSA-N |
| Mol Weight | 370.6 g/mol |
| Molecular Formula | C22H42O4 |
| Exact Mass | 370.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D3f0ZJOyGuI |
|---|---|
| Name | Sebacic acid, 4-heptyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.308309828 u |
| Formula | C22H42O4 |
| InChI | InChI=1S/C22H42O4/c1-4-7-14-19-25-21(23)17-12-10-8-9-11-13-18-22(24)26-20(15-5-2)16-6-3/h20H,4-19H2,1-3H3 |
| InChIKey | FHVFOTGYIUFUPC-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(CCCCC(OC(CCC)CCC)=O)CCCC(OCCCCC)=O |