| SpectraBase Compound ID | 8qQwqrKsFI0 |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-4-7-8-9-10-11-12-15-22-18(20)13-14-19(21)23-16-17(5-2)6-3/h13-14,17H,4-12,15-16H2,1-3H3/b14-13+ |
| InChIKey | ILSHERQMBBGDGX-BUHFOSPRSA-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 | DNcLcqfX09 |
|---|---|
| Name | Fumaric acid, 2-ethylbutyl 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/c1-4-7-8-9-10-11-12-15-22-18(20)13-14-19(21)23-16-17(5-2)6-3/h13-14,17H,4-12,15-16H2,1-3H3/b14-13+ |
| InChIKey | ILSHERQMBBGDGX-BUHFOSPRSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | CCC(CC)COC(\C=C\C(OCCCCCCCCC)=O)=O |