| SpectraBase Compound ID | BoF3a5tztdo |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-4-5-6-7-8-9-10-15-22-18(20)12-11-13-19(21)23-16-14-17(2)3/h14H,4-13,15-16H2,1-3H3 |
| InChIKey | YKWQJWBBVWKMOK-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 | KLPjENvpzpr |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-enyl nonyl 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/c1-4-5-6-7-8-9-10-15-22-18(20)12-11-13-19(21)23-16-14-17(2)3/h14H,4-13,15-16H2,1-3H3 |
| InChIKey | YKWQJWBBVWKMOK-UHFFFAOYSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | CC(=CCOC(CCCC(OCCCCCCCCC)=O)=O)C |