| SpectraBase Compound ID | FhWvLgqLKWp |
|---|---|
| InChI | InChI=1S/C17H31FO4/c1-4-7-8-9-10-11-13-21-15(19)17(5-2,6-3)16(20)22-14-12-18/h4-14H2,1-3H3 |
| InChIKey | MWTWOOOPLAKQFV-UHFFFAOYSA-N |
| Mol Weight | 318.43 g/mol |
| Molecular Formula | C17H31FO4 |
| Exact Mass | 318.220638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXkwVyZRTVQ |
|---|---|
| Name | Diethylmalonic acid, 2-fluoroethyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.220637637 u |
| Formula | C17H31FO4 |
| InChI | InChI=1S/C17H31FO4/c1-4-7-8-9-10-11-13-21-15(19)17(5-2,6-3)16(20)22-14-12-18/h4-14H2,1-3H3 |
| InChIKey | MWTWOOOPLAKQFV-UHFFFAOYSA-N |
| Molecular Weight | 318.429 g/mol |
| SMILES | C(C(C(OCCCCCCCC)=O)(CC)CC)(OCCF)=O |