| SpectraBase Compound ID | 2wjk2rF3cRp |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-4-5-15-22-18(20)12-10-8-6-7-9-11-13-19(21)23-16-14-17(2)3/h14H,4-13,15-16H2,1-3H3 |
| InChIKey | BACNIACDBAYFEW-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 | 4W0RDErNONN |
|---|---|
| Name | Sebacic acid, butyl 3-methylbut-2-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/c1-4-5-15-22-18(20)12-10-8-6-7-9-11-13-19(21)23-16-14-17(2)3/h14H,4-13,15-16H2,1-3H3 |
| InChIKey | BACNIACDBAYFEW-UHFFFAOYSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C(CCCCCCCCC(OCCCC)=O)(OCC=C(C)C)=O |