| SpectraBase Compound ID | 4Hq0RVNBb6k |
|---|---|
| InChI | InChI=1S/C14H18F3NO/c1-4-8-13(2,3)12(19)18-11-7-5-6-10(9-11)14(15,16)17/h5-7,9H,4,8H2,1-3H3,(H,18,19) |
| InChIKey | JZGSGKPJMMYYGT-UHFFFAOYSA-N |
| Mol Weight | 273.3 g/mol |
| Molecular Formula | C14H18F3NO |
| Exact Mass | 273.134049 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2LrMxMW7Bzc |
|---|---|
| Name | 2,2-Dimethyl-alpha,alpha,alpha-trifluoro-m-valerotoluidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.134048692 u |
| Formula | C14H18F3NO |
| InChI | InChI=1S/C14H18F3NO/c1-4-8-13(2,3)12(19)18-11-7-5-6-10(9-11)14(15,16)17/h5-7,9H,4,8H2,1-3H3,(H,18,19) |
| InChIKey | JZGSGKPJMMYYGT-UHFFFAOYSA-N |
| Molecular Weight | 273.299 g/mol |
| SMILES | N(C(=O)C(C)(C)CCC)C1=CC(=CC=C1)C(F)(F)F |