| SpectraBase Compound ID | 7r1VvGeLptB |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-4-6-8-9-10-11-13-17-23-19(21)15-16-20(22)24-18(3)14-12-7-5-2/h15-16,18H,4-14,17H2,1-3H3/b16-15+ |
| InChIKey | SXXSYYZWWXTQQZ-FOCLMDBBSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C20H36O4 |
| Exact Mass | 340.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I23i3XlNeyd |
|---|---|
| Name | Fumaric acid 2-heptyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.261359635 u |
| Formula | C20H36O4 |
| InChI | InChI=1S/C20H36O4/c1-4-6-8-9-10-11-13-17-23-19(21)15-16-20(22)24-18(3)14-12-7-5-2/h15-16,18H,4-14,17H2,1-3H3/b16-15+ |
| InChIKey | SXXSYYZWWXTQQZ-FOCLMDBBSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCC)=O)(OC(CCCCC)C)=O |