| SpectraBase Compound ID | EOYLVIvqFj9 |
|---|---|
| InChI | InChI=1S/C10H8F3NO2/c1-6-2-4-7(5-3-6)8(15)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,15,16) |
| InChIKey | PWISLRQEXOKNPY-UHFFFAOYSA-N |
| Mol Weight | 231.17 g/mol |
| Molecular Formula | C10H8F3NO2 |
| Exact Mass | 231.050713 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 48UMyYpy3mj |
|---|---|
| Name | p-Toluamide, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.050712989 u |
| Formula | C10H8F3NO2 |
| InChI | InChI=1S/C10H8F3NO2/c1-6-2-4-7(5-3-6)8(15)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,15,16) |
| InChIKey | PWISLRQEXOKNPY-UHFFFAOYSA-N |
| Molecular Weight | 231.174 g/mol |
| SMILES | C1=CC(=CC=C1C(NC(C(F)(F)F)=O)=O)C |