| SpectraBase Compound ID | 87SDXjo1k2J |
|---|---|
| InChI | InChI=1S/C14H17FO4/c1-2-18-13(16)4-3-5-14(17)19-10-11-6-8-12(15)9-7-11/h6-9H,2-5,10H2,1H3 |
| InChIKey | JDJNTNCWMWHPPE-UHFFFAOYSA-N |
| Mol Weight | 268.28 g/mol |
| Molecular Formula | C14H17FO4 |
| Exact Mass | 268.111087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LBp46fVZ5gc |
|---|---|
| Name | Glutaric acid, ethyl 4-fluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.111087186 u |
| Formula | C14H17FO4 |
| InChI | InChI=1S/C14H17FO4/c1-2-18-13(16)4-3-5-14(17)19-10-11-6-8-12(15)9-7-11/h6-9H,2-5,10H2,1H3 |
| InChIKey | JDJNTNCWMWHPPE-UHFFFAOYSA-N |
| Molecular Weight | 268.284 g/mol |
| SMILES | C(OCC1=CC=C(C=C1)F)(=O)CCCC(OCC)=O |