| SpectraBase Compound ID | JbYexdPJSFS |
|---|---|
| InChI | InChI=1S/C13H15FO4/c1-2-17-12(15)8-5-9-13(16)18-11-7-4-3-6-10(11)14/h3-4,6-7H,2,5,8-9H2,1H3 |
| InChIKey | RGSAVHZFNQRISD-UHFFFAOYSA-N |
| Mol Weight | 254.26 g/mol |
| Molecular Formula | C13H15FO4 |
| Exact Mass | 254.095437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4noHqrSaSVw |
|---|---|
| Name | Glutaric acid, ethyl 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.095437122 u |
| Formula | C13H15FO4 |
| InChI | InChI=1S/C13H15FO4/c1-2-17-12(15)8-5-9-13(16)18-11-7-4-3-6-10(11)14/h3-4,6-7H,2,5,8-9H2,1H3 |
| InChIKey | RGSAVHZFNQRISD-UHFFFAOYSA-N |
| Molecular Weight | 254.257 g/mol |
| SMILES | C1=CC(F)=C(OC(=O)CCCC(OCC)=O)C=C1 |