| SpectraBase Compound ID | Lnr6oSfn0Nm |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-4-7-11(8-5-2)17-13(15)10-9-12(14)16-6-3/h9-11H,4-8H2,1-3H3/b10-9+ |
| InChIKey | DYMCTBBMZSGDAR-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 | 3E8bWz38RVX |
|---|---|
| Name | Fumaric acid, ethyl 4-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/c1-4-7-11(8-5-2)17-13(15)10-9-12(14)16-6-3/h9-11H,4-8H2,1-3H3/b10-9+ |
| InChIKey | DYMCTBBMZSGDAR-MDZDMXLPSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C(OC(CCC)CCC)(\C=C\C(OCC)=O)=O |