| SpectraBase Compound ID | BxBjxazNWJY |
|---|---|
| InChI | InChI=1S/C12H14F3NO/c1-2-3-6-9-7-4-5-8-10(9)16-11(17)12(13,14)15/h4-5,7-8H,2-3,6H2,1H3,(H,16,17) |
| InChIKey | PESMYUFPXJJXOM-UHFFFAOYSA-N |
| Mol Weight | 245.25 g/mol |
| Molecular Formula | C12H14F3NO |
| Exact Mass | 245.102749 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EHhFBBdhPVc |
|---|---|
| Name | 2-Butylaniline, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.102748563 u |
| Formula | C12H14F3NO |
| InChI | InChI=1S/C12H14F3NO/c1-2-3-6-9-7-4-5-8-10(9)16-11(17)12(13,14)15/h4-5,7-8H,2-3,6H2,1H3,(H,16,17) |
| InChIKey | PESMYUFPXJJXOM-UHFFFAOYSA-N |
| Molecular Weight | 245.245 g/mol |
| SMILES | C(CCC)C1=C(NC(C(F)(F)F)=O)C=CC=C1 |