| SpectraBase Compound ID | LcllZIGnrXV |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-3-5-7-8-9-10-11-12-13-15-19-25-21(23)17-16-20(22)24-18-14-6-4-2/h16-17H,3-15,18-19H2,1-2H3/b17-16+ |
| InChIKey | NJSLXQVBNPRLBH-WUKNDPDISA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H38O4 |
| Exact Mass | 354.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQnBwu42956 |
|---|---|
| Name | Fumaric acid, dodecyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.277009700 u |
| Formula | C21H38O4 |
| InChI | InChI=1S/C21H38O4/c1-3-5-7-8-9-10-11-12-13-15-19-25-21(23)17-16-20(22)24-18-14-6-4-2/h16-17H,3-15,18-19H2,1-2H3/b17-16+ |
| InChIKey | NJSLXQVBNPRLBH-WUKNDPDISA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | CCCCCCCCCCCCOC(\C=C\C(OCCCCC)=O)=O |