| SpectraBase Compound ID | 67o1uCHNwyE |
|---|---|
| InChI | InChI=1S/C9H6F3NO4/c10-9(11,12)8(14)17-5-6-2-1-3-7(4-6)13(15)16/h1-4H,5H2 |
| InChIKey | AUJHIPQYLBWCBG-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 | 2RX1lexScck |
|---|---|
| Name | Trifluoroacetic acid, m-nitrobenzyl 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)8(14)17-5-6-2-1-3-7(4-6)13(15)16/h1-4H,5H2 |
| InChIKey | AUJHIPQYLBWCBG-UHFFFAOYSA-N |
| Molecular Weight | 249.145 g/mol |
| SMILES | C(F)(F)(F)C(OCC1=CC=CC(=C1)N(=O)=O)=O |