| SpectraBase Compound ID | Lf7Fa00oavL |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-2-3-4-5-6-7-11-16-23-19(21)14-15-20(22)24-17-18-12-9-8-10-13-18/h14-15,18H,2-13,16-17H2,1H3/b15-14+ |
| InChIKey | WIXGTCWZZQIGQT-CCEZHUSRSA-N |
| Mol Weight | 338.5 g/mol |
| Molecular Formula | C20H34O4 |
| Exact Mass | 338.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KMFzIaDtUgt |
|---|---|
| Name | Fumaric acid, cyclohexylmethyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.245709571 u |
| Formula | C20H34O4 |
| InChI | InChI=1S/C20H34O4/c1-2-3-4-5-6-7-11-16-23-19(21)14-15-20(22)24-17-18-12-9-8-10-13-18/h14-15,18H,2-13,16-17H2,1H3/b15-14+ |
| InChIKey | WIXGTCWZZQIGQT-CCEZHUSRSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | C1(CCCCC1)COC(\C=C\C(OCCCCCCCCC)=O)=O |