| SpectraBase Compound ID | 7d916doM3Z6 |
|---|---|
| InChI | InChI=1S/C19H26F4O2/c1-2-3-4-5-6-7-8-9-10-11-25-18(24)15-12-16(19(21,22)23)14-17(20)13-15/h12-14H,2-11H2,1H3 |
| InChIKey | BYQKQXHWACWUFR-UHFFFAOYSA-N |
| Mol Weight | 362.41 g/mol |
| Molecular Formula | C19H26F4O2 |
| Exact Mass | 362.186893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FQWeFMSNiO5 |
|---|---|
| Name | 5-Fluoro-3-trifluoromethylbenzoic acid, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.186892727 u |
| Formula | C19H26F4O2 |
| InChI | InChI=1S/C19H26F4O2/c1-2-3-4-5-6-7-8-9-10-11-25-18(24)15-12-16(19(21,22)23)14-17(20)13-15/h12-14H,2-11H2,1H3 |
| InChIKey | BYQKQXHWACWUFR-UHFFFAOYSA-N |
| Molecular Weight | 362.409 g/mol |
| SMILES | C(CCCCCCCCOC(C1=CC(C(F)(F)F)=CC(=C1)F)=O)CC |