| SpectraBase Compound ID | HujnClrefPt |
|---|---|
| InChI | InChI=1S/C17H30O5/c1-4-6-7-8-10-15(11-9-14-20-3)22-17(19)13-12-16(18)21-5-2/h12-13,15H,4-11,14H2,1-3H3/b13-12+ |
| InChIKey | QGJIFPLCVUSYDK-OUKQBFOZSA-N |
| Mol Weight | 314.42 g/mol |
| Molecular Formula | C17H30O5 |
| Exact Mass | 314.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HX1lPRVF4X2 |
|---|---|
| Name | Fumaric acid, ethyl 1-methoxydec-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.209324061 u |
| Formula | C17H30O5 |
| InChI | InChI=1S/C17H30O5/c1-4-6-7-8-10-15(11-9-14-20-3)22-17(19)13-12-16(18)21-5-2/h12-13,15H,4-11,14H2,1-3H3/b13-12+ |
| InChIKey | QGJIFPLCVUSYDK-OUKQBFOZSA-N |
| SMILES | CCOC(\C=C\C(OC(CCCOC)CCCCCC)=O)=O |