| SpectraBase Compound ID | B8ket6c1XKk |
|---|---|
| InChI | InChI=1S/C14H19FO2/c1-11(2)4-3-9-17-14(16)10-12-5-7-13(15)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3 |
| InChIKey | ARDBCOBGZZJENB-UHFFFAOYSA-N |
| Mol Weight | 238.3 g/mol |
| Molecular Formula | C14H19FO2 |
| Exact Mass | 238.136908 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ewz9ARrZWdB |
|---|---|
| Name | Acetic acid, 2-(4-fluorophenyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.136908013 u |
| Formula | C14H19FO2 |
| InChI | InChI=1S/C14H19FO2/c1-11(2)4-3-9-17-14(16)10-12-5-7-13(15)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3 |
| InChIKey | ARDBCOBGZZJENB-UHFFFAOYSA-N |
| Molecular Weight | 238.302 g/mol |
| SMILES | C(OCCCC(C)C)(=O)CC1=CC=C(C=C1)F |