| SpectraBase Compound ID | H5Y91qMmnq4 |
|---|---|
| InChI | InChI=1S/C13H17FO2/c1-3-6-10(2)9-16-13(15)11-7-4-5-8-12(11)14/h4-5,7-8,10H,3,6,9H2,1-2H3 |
| InChIKey | MTFWLLKYZYSNSE-UHFFFAOYSA-N |
| Mol Weight | 224.28 g/mol |
| Molecular Formula | C13H17FO2 |
| Exact Mass | 224.121258 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6UIZ4Eg6Arf |
|---|---|
| Name | 2-Fluorobenzoic acid, 2-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.121257948 u |
| Formula | C13H17FO2 |
| InChI | InChI=1S/C13H17FO2/c1-3-6-10(2)9-16-13(15)11-7-4-5-8-12(11)14/h4-5,7-8,10H,3,6,9H2,1-2H3 |
| InChIKey | MTFWLLKYZYSNSE-UHFFFAOYSA-N |
| Molecular Weight | 224.275 g/mol |
| SMILES | C1=CC=CC(=C1C(=O)OCC(CCC)C)F |