| SpectraBase Compound ID | Lqz3gB4sgXh |
|---|---|
| InChI | InChI=1S/C8H5F3N2O3/c9-8(10,11)7(14)12-5-3-1-2-4-6(5)13(15)16/h1-4H,(H,12,14) |
| InChIKey | RDHSJZAEIBUROF-UHFFFAOYSA-N |
| Mol Weight | 234.13 g/mol |
| Molecular Formula | C8H5F3N2O3 |
| Exact Mass | 234.025227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A4N2b68tJEp |
|---|---|
| Name | 2-Nitroaniline, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.025226515 u |
| Formula | C8H5F3N2O3 |
| InChI | InChI=1S/C8H5F3N2O3/c9-8(10,11)7(14)12-5-3-1-2-4-6(5)13(15)16/h1-4H,(H,12,14) |
| InChIKey | RDHSJZAEIBUROF-UHFFFAOYSA-N |
| Molecular Weight | 234.134 g/mol |
| SMILES | C1(NC(C(F)(F)F)=O)=C(C=CC=C1)N(=O)=O |