| SpectraBase Compound ID | Ixa9KMhbrKo |
|---|---|
| InChI | InChI=1S/C10H8F3NO3/c1-5-2-3-7(6(4-5)8(15)16)14-9(17)10(11,12)13/h2-4H,1H3,(H,14,17)(H,15,16) |
| InChIKey | HXLQYNIKTYRABW-UHFFFAOYSA-N |
| Mol Weight | 247.17 g/mol |
| Molecular Formula | C10H8F3NO3 |
| Exact Mass | 247.045628 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZzhQooVdIj |
|---|---|
| Name | 6-(2,2,2-Trifluoroacetamido)-m-toluic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.045627608 u |
| Formula | C10H8F3NO3 |
| InChI | InChI=1S/C10H8F3NO3/c1-5-2-3-7(6(4-5)8(15)16)14-9(17)10(11,12)13/h2-4H,1H3,(H,14,17)(H,15,16) |
| InChIKey | HXLQYNIKTYRABW-UHFFFAOYSA-N |
| Molecular Weight | 247.173 g/mol |
| SMILES | OC(C=1C=C(C=CC1NC(C(F)(F)F)=O)C)=O |