| SpectraBase Compound ID | Jmae5Jly3ND |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-5-6-7-8-9-10-11-14-22-18(20)12-13-19(21)23-17(4)15-16(2)3/h12-13,16-17H,5-11,14-15H2,1-4H3/b13-12+ |
| InChIKey | QUEAWVRHZOKWBN-OUKQBFOZSA-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 | 82S8Oe64R1m |
|---|---|
| Name | Fumaric acid, 4-methylpent-2-yl 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/c1-5-6-7-8-9-10-11-14-22-18(20)12-13-19(21)23-17(4)15-16(2)3/h12-13,16-17H,5-11,14-15H2,1-4H3/b13-12+ |
| InChIKey | QUEAWVRHZOKWBN-OUKQBFOZSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C(OC(C)CC(C)C)(\C=C\C(OCCCCCCCCC)=O)=O |