| SpectraBase Compound ID | Lhc78G39bSl |
|---|---|
| InChI | InChI=1S/C12H9BrF3N3/c1-17-11-18-9(6-10(19-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,17,18,19) |
| InChIKey | HLPJFTJHTYIWTM-UHFFFAOYSA-N |
| Mol Weight | 332.12 g/mol |
| Molecular Formula | C12H9BrF3N3 |
| Exact Mass | 330.993195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LKPWTuUxtwC |
|---|---|
| Name | 4-(4-Bromophenyl)-6-(trifluoromethyl)pyrimidin-2-amine, N-methyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.993194791 u |
| Formula | C12H9BrF3N3 |
| InChI | InChI=1S/C12H9BrF3N3/c1-17-11-18-9(6-10(19-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,17,18,19) |
| InChIKey | HLPJFTJHTYIWTM-UHFFFAOYSA-N |
| Molecular Weight | 332.124 g/mol |
| SMILES | C1(=NC(=CC(=N1)C(F)(F)F)C1=CC=C(C=C1)Br)NC |