| SpectraBase Compound ID | 6UlX06HWUjN |
|---|---|
| InChI | InChI=1S/C13H17FO3/c1-10(7-8-16-2)9-17-13(15)11-3-5-12(14)6-4-11/h3-6,10H,7-9H2,1-2H3 |
| InChIKey | FCJKKYMBKHVZQL-UHFFFAOYSA-N |
| Mol Weight | 240.27 g/mol |
| Molecular Formula | C13H17FO3 |
| Exact Mass | 240.116173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5cwSTckIDgb |
|---|---|
| Name | 4-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.116172567 u |
| Formula | C13H17FO3 |
| InChI | InChI=1S/C13H17FO3/c1-10(7-8-16-2)9-17-13(15)11-3-5-12(14)6-4-11/h3-6,10H,7-9H2,1-2H3 |
| InChIKey | FCJKKYMBKHVZQL-UHFFFAOYSA-N |
| Molecular Weight | 240.274 g/mol |
| SMILES | C1(=CC=C(C=C1)F)C(=O)OCC(CCOC)C |