| SpectraBase Compound ID | HYAutJMyKEB |
|---|---|
| InChI | InChI=1S/C14H16F2O4/c1-2-19-13(17)4-3-5-14(18)20-9-10-8-11(15)6-7-12(10)16/h6-8H,2-5,9H2,1H3 |
| InChIKey | LYWBOJQKGWQXTF-UHFFFAOYSA-N |
| Mol Weight | 286.27 g/mol |
| Molecular Formula | C14H16F2O4 |
| Exact Mass | 286.101665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IulJDlrQ5EP |
|---|---|
| Name | Glutaric acid, 2,5-difluorobenzyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.101665317 u |
| Formula | C14H16F2O4 |
| InChI | InChI=1S/C14H16F2O4/c1-2-19-13(17)4-3-5-14(18)20-9-10-8-11(15)6-7-12(10)16/h6-8H,2-5,9H2,1H3 |
| InChIKey | LYWBOJQKGWQXTF-UHFFFAOYSA-N |
| Molecular Weight | 286.275 g/mol |
| SMILES | C(OCC1=C(C=CC(=C1)F)F)(=O)CCCC(OCC)=O |