| SpectraBase Compound ID | 7tdjwWGq7En |
|---|---|
| InChI | InChI=1S/C15H19FO4/c1-3-19-14(17)5-4-6-15(18)20-11(2)12-7-9-13(16)10-8-12/h7-11H,3-6H2,1-2H3 |
| InChIKey | BMJVCDFEUPYHHJ-UHFFFAOYSA-N |
| Mol Weight | 282.31 g/mol |
| Molecular Formula | C15H19FO4 |
| Exact Mass | 282.126737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E8uhvLuagJq |
|---|---|
| Name | Glutaric acid, ethyl 1-(4-fluorophenyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.126737251 u |
| Formula | C15H19FO4 |
| InChI | InChI=1S/C15H19FO4/c1-3-19-14(17)5-4-6-15(18)20-11(2)12-7-9-13(16)10-8-12/h7-11H,3-6H2,1-2H3 |
| InChIKey | BMJVCDFEUPYHHJ-UHFFFAOYSA-N |
| Molecular Weight | 282.311 g/mol |
| SMILES | C(OC(C1=CC=C(C=C1)F)C)(=O)CCCC(OCC)=O |