| SpectraBase Compound ID | I5lf0jjpSSs |
|---|---|
| InChI | InChI=1S/C13H12F7NO/c1-6-4-8(3)9(5-7(6)2)21-10(22)11(14,15)12(16,17)13(18,19)20/h4-5H,1-3H3,(H,21,22) |
| InChIKey | YOFFLHLAPAKZKA-UHFFFAOYSA-N |
| Mol Weight | 331.23 g/mol |
| Molecular Formula | C13H12F7NO |
| Exact Mass | 331.080711 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JrCo9vu3v2t |
|---|---|
| Name | 2,4,5-Trimethylaniline, N-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.080711150 u |
| Formula | C13H12F7NO |
| InChI | InChI=1S/C13H12F7NO/c1-6-4-8(3)9(5-7(6)2)21-10(22)11(14,15)12(16,17)13(18,19)20/h4-5H,1-3H3,(H,21,22) |
| InChIKey | YOFFLHLAPAKZKA-UHFFFAOYSA-N |
| Molecular Weight | 331.234 g/mol |
| SMILES | C1(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=C(C(=C1)C)C)C |