| SpectraBase Compound ID | EEPOojX9vwt |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-3-5-7-9-10-11-12-14-18-24-20(22)16-15-19(21)23-17-13-8-6-4-2/h6,8,15-16H,3-5,7,9-14,17-18H2,1-2H3/b8-6+,16-15+ |
| InChIKey | PINHCRBPYQCCBD-FAIOIYSMSA-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 | UtTvRz5xtv |
|---|---|
| Name | Fumaric acid, decyl trans-hex-3-enyl 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/c1-3-5-7-9-10-11-12-14-18-24-20(22)16-15-19(21)23-17-13-8-6-4-2/h6,8,15-16H,3-5,7,9-14,17-18H2,1-2H3/b8-6+,16-15+ |
| InChIKey | PINHCRBPYQCCBD-FAIOIYSMSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | C(OCC\C=C\CC)(\C=C\C(OCCCCCCCCCC)=O)=O |