| SpectraBase Compound ID | F9RCrCS91pB |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-6-7-8-9-10-11-14-22-17(20)12-13-18(21)23-19(15(2)3)16(4)5/h12-13,15-16,19H,6-11,14H2,1-5H3/b13-12+ |
| InChIKey | JGOMLRLIGCQIDL-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 | HYjLN9HZh4s |
|---|---|
| Name | Fumaric acid, 2,4-dimethylpent-3-yl octyl 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/c1-6-7-8-9-10-11-14-22-17(20)12-13-18(21)23-19(15(2)3)16(4)5/h12-13,15-16,19H,6-11,14H2,1-5H3/b13-12+ |
| InChIKey | JGOMLRLIGCQIDL-OUKQBFOZSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C(OC(C(C)C)C(C)C)(\C=C\C(OCCCCCCCC)=O)=O |