| SpectraBase Compound ID | Kt2YePsj8pl |
|---|---|
| InChI | InChI=1S/C12H11BrF3NO2/c1-2-7-17(11(19)12(14,15)16)10(18)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3 |
| InChIKey | NCPKCAMRSGGVAD-UHFFFAOYSA-N |
| Mol Weight | 338.12 g/mol |
| Molecular Formula | C12H11BrF3NO2 |
| Exact Mass | 336.992526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6blYtAT0Vgb |
|---|---|
| Name | 4-Bromo-N-propylbenzamide, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.992526085 u |
| Formula | C12H11BrF3NO2 |
| InChI | InChI=1S/C12H11BrF3NO2/c1-2-7-17(11(19)12(14,15)16)10(18)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3 |
| InChIKey | NCPKCAMRSGGVAD-UHFFFAOYSA-N |
| Molecular Weight | 338.124 g/mol |
| SMILES | C1(Br)=CC=C(C=C1)C(=O)N(CCC)C(C(F)(F)F)=O |