| SpectraBase Compound ID | ACcUgTUM196 |
|---|---|
| InChI | InChI=1S/C14H7F4NO4/c15-11-3-1-2-10(14(16,17)18)12(11)13(20)23-9-6-4-8(5-7-9)19(21)22/h1-7H |
| InChIKey | GIQWXHMRPQOIMN-UHFFFAOYSA-N |
| Mol Weight | 329.21 g/mol |
| Molecular Formula | C14H7F4NO4 |
| Exact Mass | 329.03112 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L9TG94UgAWs |
|---|---|
| Name | 2-Fluoro-6-trifluoromethylbenzoic acid, 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.031120357 u |
| Formula | C14H7F4NO4 |
| InChI | InChI=1S/C14H7F4NO4/c15-11-3-1-2-10(14(16,17)18)12(11)13(20)23-9-6-4-8(5-7-9)19(21)22/h1-7H |
| InChIKey | GIQWXHMRPQOIMN-UHFFFAOYSA-N |
| Molecular Weight | 329.207 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(C1=C(C(F)(F)F)C=CC=C1F)=O)N(=O)=O |