| SpectraBase Compound ID | 6MeR70g1nvS |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-4-6-8-13-16-20(3)26-22(24)18-15-12-10-9-11-14-17-21(23)25-19-7-5-2/h13,16,20H,4-12,14-15,17-19H2,1-3H3/b16-13+ |
| InChIKey | RVZAEKITVVSSHL-DTQAZKPQSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1qm23bWpG6m |
|---|---|
| Name | Sebacic acid, butyl oct-3-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-4-6-8-13-16-20(3)26-22(24)18-15-12-10-9-11-14-17-21(23)25-19-7-5-2/h13,16,20H,4-12,14-15,17-19H2,1-3H3/b16-13+ |
| InChIKey | RVZAEKITVVSSHL-DTQAZKPQSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(\C=C\CCCC)(OC(CCCCCCCCC(OCCCC)=O)=O)C |