| SpectraBase Compound ID | Ccs63Gr9B5a |
|---|---|
| InChI | InChI=1S/C20H37FO4/c1-4-7-8-9-10-11-12-13-14-16-24-18(22)20(5-2,6-3)19(23)25-17-15-21/h4-17H2,1-3H3 |
| InChIKey | FEJQOLQFHVNDHO-UHFFFAOYSA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C20H37FO4 |
| Exact Mass | 360.267588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1umyQTBXzBP |
|---|---|
| Name | Diethylmalonic acid, 2-fluoroethyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.267587830 u |
| Formula | C20H37FO4 |
| InChI | InChI=1S/C20H37FO4/c1-4-7-8-9-10-11-12-13-14-16-24-18(22)20(5-2,6-3)19(23)25-17-15-21/h4-17H2,1-3H3 |
| InChIKey | FEJQOLQFHVNDHO-UHFFFAOYSA-N |
| Molecular Weight | 360.510 g/mol |
| SMILES | C(C(C(OCCCCCCCCCCC)=O)(CC)CC)(OCCF)=O |