| SpectraBase Compound ID | BRlHxXbXmj4 |
|---|---|
| InChI | InChI=1S/C18H24F4O2/c1-2-3-4-5-6-7-8-9-13-24-17(23)14-11-10-12-15(16(14)19)18(20,21)22/h10-12H,2-9,13H2,1H3 |
| InChIKey | QIZAYTUOHNKKKE-UHFFFAOYSA-N |
| Mol Weight | 348.38 g/mol |
| Molecular Formula | C18H24F4O2 |
| Exact Mass | 348.171243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GGDVQhycwVP |
|---|---|
| Name | 2-Fluoro-3-trifluoromethylbenzoic acid, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.171242663 u |
| Formula | C18H24F4O2 |
| InChI | InChI=1S/C18H24F4O2/c1-2-3-4-5-6-7-8-9-13-24-17(23)14-11-10-12-15(16(14)19)18(20,21)22/h10-12H,2-9,13H2,1H3 |
| InChIKey | QIZAYTUOHNKKKE-UHFFFAOYSA-N |
| Molecular Weight | 348.382 g/mol |
| SMILES | C1(=C(C=CC=C1C(F)(F)F)C(OCCCCCCCCCC)=O)F |