| SpectraBase Compound ID | A8sNcdj10wh |
|---|---|
| InChI | InChI=1S/C25H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-28-24(26)20-21-25(27)29-23-18-15-14-16-19-23/h20-21,23H,2-19,22H2,1H3/b21-20+ |
| InChIKey | ZVWYDPSLGWHVTD-QZQOTICOSA-N |
| Mol Weight | 408.6 g/mol |
| Molecular Formula | C25H44O4 |
| Exact Mass | 408.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6FTXSKCzwvY |
|---|---|
| Name | Fumaric acid, cyclohexyl pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.323959893 u |
| Formula | C25H44O4 |
| InChI | InChI=1S/C25H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-28-24(26)20-21-25(27)29-23-18-15-14-16-19-23/h20-21,23H,2-19,22H2,1H3/b21-20+ |
| InChIKey | ZVWYDPSLGWHVTD-QZQOTICOSA-N |
| Molecular Weight | 408.623 g/mol |
| SMILES | C1C(CCCC1)OC(\C=C\C(OCCCCCCCCCCCCCCC)=O)=O |