| SpectraBase Compound ID | 25DSQ0PQxDj |
|---|---|
| InChI | InChI=1S/C12H19FO4/c1-10(2)6-8-16-11(14)4-3-5-12(15)17-9-7-13/h6H,3-5,7-9H2,1-2H3 |
| InChIKey | MFKRYSSUOZZWSN-UHFFFAOYSA-N |
| Mol Weight | 246.28 g/mol |
| Molecular Formula | C12H19FO4 |
| Exact Mass | 246.126737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6mZtnEzlRS6 |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-en-1-yl 2-fluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.126737251 u |
| Formula | C12H19FO4 |
| InChI | InChI=1S/C12H19FO4/c1-10(2)6-8-16-11(14)4-3-5-12(15)17-9-7-13/h6H,3-5,7-9H2,1-2H3 |
| InChIKey | MFKRYSSUOZZWSN-UHFFFAOYSA-N |
| Molecular Weight | 246.278 g/mol |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OCCF)=O |