| SpectraBase Compound ID | 92jEJwVXTcS |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-3-5-13-17-23-19(21)15-12-10-8-7-9-11-14-18(20)22-16-6-4-2/h3H,1,4-17H2,2H3 |
| InChIKey | HAVLQGQUEFAVFN-UHFFFAOYSA-N |
| Mol Weight | 326.5 g/mol |
| Molecular Formula | C19H34O4 |
| Exact Mass | 326.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ePA1B1S1jj |
|---|---|
| Name | Sebacic acid, butyl pent-4-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.245709571 u |
| Formula | C19H34O4 |
| InChI | InChI=1S/C19H34O4/c1-3-5-13-17-23-19(21)15-12-10-8-7-9-11-14-18(20)22-16-6-4-2/h3H,1,4-17H2,2H3 |
| InChIKey | HAVLQGQUEFAVFN-UHFFFAOYSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C(CCCCCC(OCCCC=C)=O)CCC(OCCCC)=O |