| SpectraBase Compound ID | 1OobBA9Ljyn |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-12-17-24-20(22)15-16-21(23)25-18-19-13-10-11-14-19/h15-16,19H,2-14,17-18H2,1H3/b16-15+ |
| InChIKey | JURZNEIBTUUKIN-FOCLMDBBSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4nVy0Bl08yn |
|---|---|
| Name | Fumaric acid, cyclopentylmethyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.261359635 u |
| Formula | C21H36O4 |
| InChI | InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-12-17-24-20(22)15-16-21(23)25-18-19-13-10-11-14-19/h15-16,19H,2-14,17-18H2,1H3/b16-15+ |
| InChIKey | JURZNEIBTUUKIN-FOCLMDBBSA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | C(\C=C\C(OCC1CCCC1)=O)(OCCCCCCCCCCC)=O |