| SpectraBase Compound ID | E2d5dB9qGjj |
|---|---|
| InChI | InChI=1S/C13H16F2O2/c1-2-3-4-5-9-17-13(16)12-10(14)7-6-8-11(12)15/h6-8H,2-5,9H2,1H3 |
| InChIKey | GPRXOAISRWZXTF-UHFFFAOYSA-N |
| Mol Weight | 242.27 g/mol |
| Molecular Formula | C13H16F2O2 |
| Exact Mass | 242.111836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2icqYKJ6DCR |
|---|---|
| Name | 2,6-Difluorobenzoic acid, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.111836079 u |
| Formula | C13H16F2O2 |
| InChI | InChI=1S/C13H16F2O2/c1-2-3-4-5-9-17-13(16)12-10(14)7-6-8-11(12)15/h6-8H,2-5,9H2,1H3 |
| InChIKey | GPRXOAISRWZXTF-UHFFFAOYSA-N |
| Molecular Weight | 242.266 g/mol |
| SMILES | C(=O)(OCCCCCC)C=1C(F)=CC=CC1F |