| SpectraBase Compound ID | 4xYEBtwVEl |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-2-3-4-5-6-9-12-17-23-19(21)15-16-20(22)24-18-13-10-7-8-11-14-18/h15-16,18H,2-14,17H2,1H3/b16-15+ |
| InChIKey | YQAGALWSKIHWGZ-FOCLMDBBSA-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 | FT56oPsLkEg |
|---|---|
| Name | Fumaric acid, cycloheptyl 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/c1-2-3-4-5-6-9-12-17-23-19(21)15-16-20(22)24-18-13-10-7-8-11-14-18/h15-16,18H,2-14,17H2,1H3/b16-15+ |
| InChIKey | YQAGALWSKIHWGZ-FOCLMDBBSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | C1C(CCCCC1)OC(\C=C\C(OCCCCCCCCC)=O)=O |