| SpectraBase Compound ID | KEujbw01lZp |
|---|---|
| InChI | InChI=1S/C9H6F3NO4/c10-9(11,12)5-17-8(14)6-1-3-7(4-2-6)13(15)16/h1-4H,5H2 |
| InChIKey | XMXFNWXVLHFIRB-UHFFFAOYSA-N |
| Mol Weight | 249.15 g/mol |
| Molecular Formula | C9H6F3NO4 |
| Exact Mass | 249.024892 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | fBFiSzFnmF |
|---|---|
| Name | 4-Nitrobenzoic acid, 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.024892162 u |
| Formula | C9H6F3NO4 |
| InChI | InChI=1S/C9H6F3NO4/c10-9(11,12)5-17-8(14)6-1-3-7(4-2-6)13(15)16/h1-4H,5H2 |
| InChIKey | XMXFNWXVLHFIRB-UHFFFAOYSA-N |
| Molecular Weight | 249.145 g/mol |
| SMILES | C1(=CC=C(C(=O)OCC(F)(F)F)C=C1)N(=O)=O |