| SpectraBase Compound ID | GNoIHtIYT1d |
|---|---|
| InChI | InChI=1S/C15H21FO2/c1-3-5-7-12(4-2)11-18-15(17)13-8-6-9-14(16)10-13/h6,8-10,12H,3-5,7,11H2,1-2H3 |
| InChIKey | VPMHTZASGVFZBQ-UHFFFAOYSA-N |
| Mol Weight | 252.33 g/mol |
| Molecular Formula | C15H21FO2 |
| Exact Mass | 252.152558 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FA8nRA4jwgV |
|---|---|
| Name | 3-Fluorobenzoic acid, 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.152558077 u |
| Formula | C15H21FO2 |
| InChI | InChI=1S/C15H21FO2/c1-3-5-7-12(4-2)11-18-15(17)13-8-6-9-14(16)10-13/h6,8-10,12H,3-5,7,11H2,1-2H3 |
| InChIKey | VPMHTZASGVFZBQ-UHFFFAOYSA-N |
| Molecular Weight | 252.329 g/mol |
| SMILES | CCC(CCCC)COC(=O)C=1C=CC=C(F)C1 |