| SpectraBase Compound ID | Egew6K2UJ02 |
|---|---|
| InChI | InChI=1S/C13H14F5NO/c1-11(2,3)8-5-4-6-9(7-8)19-10(20)12(14,15)13(16,17)18/h4-7H,1-3H3,(H,19,20) |
| InChIKey | VIHSGACCIKONJA-UHFFFAOYSA-N |
| Mol Weight | 295.25 g/mol |
| Molecular Formula | C13H14F5NO |
| Exact Mass | 295.099555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IgDwovP39Tz |
|---|---|
| Name | 3-(Tert-butyl)aniline, N-pentafluoropropionyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.099554889 u |
| Formula | C13H14F5NO |
| InChI | InChI=1S/C13H14F5NO/c1-11(2,3)8-5-4-6-9(7-8)19-10(20)12(14,15)13(16,17)18/h4-7H,1-3H3,(H,19,20) |
| InChIKey | VIHSGACCIKONJA-UHFFFAOYSA-N |
| Molecular Weight | 295.253 g/mol |
| SMILES | C(C)(C)(C)C1=CC(NC(C(C(F)(F)F)(F)F)=O)=CC=C1 |