| SpectraBase Compound ID | 5YP0VucKQ8j |
|---|---|
| InChI | InChI=1S/C13H23FO4/c1-4-7-9-17-11(15)13(5-2,6-3)12(16)18-10-8-14/h4-10H2,1-3H3 |
| InChIKey | QZFYKLIPMOHSBU-UHFFFAOYSA-N |
| Mol Weight | 262.32 g/mol |
| Molecular Formula | C13H23FO4 |
| Exact Mass | 262.158037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gu1ICBPXckr |
|---|---|
| Name | Diethylmalonic acid, butyl 2-fluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.158037380 u |
| Formula | C13H23FO4 |
| InChI | InChI=1S/C13H23FO4/c1-4-7-9-17-11(15)13(5-2,6-3)12(16)18-10-8-14/h4-10H2,1-3H3 |
| InChIKey | QZFYKLIPMOHSBU-UHFFFAOYSA-N |
| Molecular Weight | 262.321 g/mol |
| SMILES | C(C(C(OCCCC)=O)(CC)CC)(OCCF)=O |