| SpectraBase Compound ID | 9XsRhIYFvwP |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-3-5-6-7-8-11-17-13(15)10-9-12(14)16-4-2/h9-10H,3-8,11H2,1-2H3/b10-9+ |
| InChIKey | WCJHIZQTNJPMPL-MDZDMXLPSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EXrHZgNdMYb |
|---|---|
| Name | Fumaric acid, ethyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.151809184 u |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c1-3-5-6-7-8-11-17-13(15)10-9-12(14)16-4-2/h9-10H,3-8,11H2,1-2H3/b10-9+ |
| InChIKey | WCJHIZQTNJPMPL-MDZDMXLPSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | CCOC(\C=C\C(OCCCCCCC)=O)=O |