| SpectraBase Compound ID | 5949LGa1ztc |
|---|---|
| InChI | InChI=1S/C12H12F5NO/c1-6-4-8(3)9(5-7(6)2)18-10(19)11(13,14)12(15,16)17/h4-5H,1-3H3,(H,18,19) |
| InChIKey | ZYMXQPOEMPRSHM-UHFFFAOYSA-N |
| Mol Weight | 281.23 g/mol |
| Molecular Formula | C12H12F5NO |
| Exact Mass | 281.083905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HC66kPblIcd |
|---|---|
| Name | 2,4,5-Trimethylaniline, N-pentafluoropropionyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.083904824 u |
| Formula | C12H12F5NO |
| InChI | InChI=1S/C12H12F5NO/c1-6-4-8(3)9(5-7(6)2)18-10(19)11(13,14)12(15,16)17/h4-5H,1-3H3,(H,18,19) |
| InChIKey | ZYMXQPOEMPRSHM-UHFFFAOYSA-N |
| Molecular Weight | 281.226 g/mol |
| SMILES | C1(NC(C(C(F)(F)F)(F)F)=O)=C(C=C(C(=C1)C)C)C |