| SpectraBase Compound ID | 1HrfPZEaUSi |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-5-6-7-8-9-10-11-12-13-14-15-18-25-21(23)16-17-22(24)26-20(4)19(2)3/h16-17,19-20H,5-15,18H2,1-4H3/b17-16+ |
| InChIKey | SFWHRGRIZYEOFU-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 | 6mhQgpSl313 |
|---|---|
| Name | Fumaric acid, 3-methylbut-2-yl tridecyl 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/c1-5-6-7-8-9-10-11-12-13-14-15-18-25-21(23)16-17-22(24)26-20(4)19(2)3/h16-17,19-20H,5-15,18H2,1-4H3/b17-16+ |
| InChIKey | SFWHRGRIZYEOFU-WUKNDPDISA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(\C=C\C(OC(C(C)C)C)=O)(OCCCCCCCCCCCCC)=O |