| SpectraBase Compound ID | 8VFwUcCZFVF |
|---|---|
| InChI | InChI=1S/C14H7F4NO4/c15-12-10(2-1-3-11(12)14(16,17)18)13(20)23-9-6-4-8(5-7-9)19(21)22/h1-7H |
| InChIKey | ORVWIWVUMDEEPF-UHFFFAOYSA-N |
| Mol Weight | 329.21 g/mol |
| Molecular Formula | C14H7F4NO4 |
| Exact Mass | 329.03112 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LBl4W8w4oNJ |
|---|---|
| Name | 2-Fluoro-3-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/c15-12-10(2-1-3-11(12)14(16,17)18)13(20)23-9-6-4-8(5-7-9)19(21)22/h1-7H |
| InChIKey | ORVWIWVUMDEEPF-UHFFFAOYSA-N |
| Molecular Weight | 329.207 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(C1=C(C(=CC=C1)C(F)(F)F)F)=O)N(=O)=O |