| SpectraBase Compound ID | AvRMGJlPmWN |
|---|---|
| InChI | InChI=1S/C8H11N.C2HF3O2/c1-6-4-3-5-8(9)7(6)2;3-2(4,5)1(6)7/h3-5H,9H2,1-2H3;(H,6,7) |
| InChIKey | CMJQUPDZWFIAJO-UHFFFAOYSA-N |
| Mol Weight | 235.206 g/mol |
| Molecular Formula | C10H12F3NO2 |
| Exact Mass | 235.082013 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJuSobPCuCB |
|---|---|
| Name | 2,3-Xylidine, trifluoracetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.082013117 u |
| Formula | C10H12F3NO2 |
| InChI | InChI=1S/C8H11N.C2HF3O2/c1-6-4-3-5-8(9)7(6)2;3-2(4,5)1(6)7/h3-5H,9H2,1-2H3;(H,6,7) |
| InChIKey | CMJQUPDZWFIAJO-UHFFFAOYSA-N |
| Molecular Weight | 235.206 g/mol |
| SMILES | NC1=CC=CC(=C1C)C.OC(=O)C(F)(F)F |