| SpectraBase Compound ID | Gqg19iVwv88 |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-5-7-8-9-10-11-12-13-14-15-18-25-21(23)16-17-22(24)26-20(6-2)19(3)4/h16-17,19-20H,5-15,18H2,1-4H3/b17-16+ |
| InChIKey | ODLHMBHZSWNQLE-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 | AsX9QZnje2 |
|---|---|
| Name | Fumaric acid, dodecyl 2-methylpent-3-yl 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/c1-5-7-8-9-10-11-12-13-14-15-18-25-21(23)16-17-22(24)26-20(6-2)19(3)4/h16-17,19-20H,5-15,18H2,1-4H3/b17-16+ |
| InChIKey | ODLHMBHZSWNQLE-WUKNDPDISA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(OC(CC)C(C)C)(\C=C\C(OCCCCCCCCCCCC)=O)=O |