| SpectraBase Compound ID | 66J3l92VWtA |
|---|---|
| InChI | InChI=1S/C12H21FO4/c1-9(2)10(3)17-12(15)6-4-5-11(14)16-8-7-13/h9-10H,4-8H2,1-3H3 |
| InChIKey | HXPOGEMLMJBKNG-UHFFFAOYSA-N |
| Mol Weight | 248.29 g/mol |
| Molecular Formula | C12H21FO4 |
| Exact Mass | 248.142387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 81sHqWvb8uT |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl 2-fluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.142387315 u |
| Formula | C12H21FO4 |
| InChI | InChI=1S/C12H21FO4/c1-9(2)10(3)17-12(15)6-4-5-11(14)16-8-7-13/h9-10H,4-8H2,1-3H3 |
| InChIKey | HXPOGEMLMJBKNG-UHFFFAOYSA-N |
| Molecular Weight | 248.294 g/mol |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OCCF)=O |