| SpectraBase Compound ID | 8gxtfo5pW3Z |
|---|---|
| InChI | InChI=1S/C17H14F4O2/c1-10(2)11-3-6-13(7-4-11)23-16(22)12-5-8-14(15(18)9-12)17(19,20)21/h3-10H,1-2H3 |
| InChIKey | NQLMXWXNPVATAL-UHFFFAOYSA-N |
| Mol Weight | 326.29 g/mol |
| Molecular Formula | C17H14F4O2 |
| Exact Mass | 326.092992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JRXRgvvU90J |
|---|---|
| Name | 3-Fluoro-4-trifluoromethylbenzoic acid, 4-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.092992341 u |
| Formula | C17H14F4O2 |
| InChI | InChI=1S/C17H14F4O2/c1-10(2)11-3-6-13(7-4-11)23-16(22)12-5-8-14(15(18)9-12)17(19,20)21/h3-10H,1-2H3 |
| InChIKey | NQLMXWXNPVATAL-UHFFFAOYSA-N |
| Molecular Weight | 326.291 g/mol |
| SMILES | C1=C(C=CC(=C1F)C(F)(F)F)C(=O)OC1=CC=C(C(C)C)C=C1 |