| SpectraBase Compound ID | B45RRi4pGk2 |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-4-6-7-8-9-10-11-12-13-14-18-25-21(23)16-17-22(24)26-19-20(3)15-5-2/h16-17,20H,4-15,18-19H2,1-3H3/b17-16+ |
| InChIKey | LEPVQGAYSFCDPT-WUKNDPDISA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYUyI1cru8n |
|---|---|
| Name | Fumaric acid, dodecyl 2-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-4-6-7-8-9-10-11-12-13-14-18-25-21(23)16-17-22(24)26-19-20(3)15-5-2/h16-17,20H,4-15,18-19H2,1-3H3/b17-16+ |
| InChIKey | LEPVQGAYSFCDPT-WUKNDPDISA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(OCC(C)CCC)(\C=C\C(OCCCCCCCCCCCC)=O)=O |