| SpectraBase Compound ID | 3iNbNhT4QaC |
|---|---|
| InChI | InChI=1S/C13H9BrF3N/c14-11-6-1-2-7-12(11)18-10-5-3-4-9(8-10)13(15,16)17/h1-8,18H |
| InChIKey | UJBIBLAIZTVPPQ-UHFFFAOYSA-N |
| Mol Weight | 316.12 g/mol |
| Molecular Formula | C13H9BrF3N |
| Exact Mass | 314.987047 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZLvH7ibe2o |
|---|---|
| Name | N-(2-Bromophenyl)-3-(trifluoromethyl)aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.987046783 u |
| Formula | C13H9BrF3N |
| InChI | InChI=1S/C13H9BrF3N/c14-11-6-1-2-7-12(11)18-10-5-3-4-9(8-10)13(15,16)17/h1-8,18H |
| InChIKey | UJBIBLAIZTVPPQ-UHFFFAOYSA-N |
| Molecular Weight | 316.121 g/mol |
| SMILES | C(F)(F)(F)C1=CC(=CC=C1)NC1=CC=CC=C1Br |