| SpectraBase Compound ID | CReHp2W1dnT |
|---|---|
| InChI | InChI=1S/C13H23FO4/c1-4-11(10(2)3)18-13(16)7-5-6-12(15)17-9-8-14/h10-11H,4-9H2,1-3H3 |
| InChIKey | LAGOXVCCDCKUSW-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 | DdVO0qup1OI |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-yl 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/c1-4-11(10(2)3)18-13(16)7-5-6-12(15)17-9-8-14/h10-11H,4-9H2,1-3H3 |
| InChIKey | LAGOXVCCDCKUSW-UHFFFAOYSA-N |
| Molecular Weight | 262.321 g/mol |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OCCF)=O |