| SpectraBase Compound ID | 7KTcTCmagQ0 |
|---|---|
| InChI | InChI=1S/C15H21FO2/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12H,3-5,8,11H2,1-2H3 |
| InChIKey | SHTLYJAUBRGBRN-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 | Eb6ZNDPfdRk |
|---|---|
| Name | 2-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/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12H,3-5,8,11H2,1-2H3 |
| InChIKey | SHTLYJAUBRGBRN-UHFFFAOYSA-N |
| Molecular Weight | 252.329 g/mol |
| SMILES | CCC(CCCC)COC(=O)C1=CC=CC=C1F |