| SpectraBase Compound ID | 4p9KeFrQfBb |
|---|---|
| InChI | InChI=1S/C12H12BrN3/c1-8-7-9(2)15-12(14-8)16-11-6-4-3-5-10(11)13/h3-7H,1-2H3,(H,14,15,16) |
| InChIKey | AZYVWDBJBZWCIQ-UHFFFAOYSA-N |
| Mol Weight | 278.15 g/mol |
| Molecular Formula | C12H12BrN3 |
| Exact Mass | 277.02146 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8FvRsSNTQx4 |
|---|---|
| Name | 2-Pyrimidinamine, N-(2-bromophenyl)-4,6-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.021460398 u |
| Formula | C12H12BrN3 |
| InChI | InChI=1S/C12H12BrN3/c1-8-7-9(2)15-12(14-8)16-11-6-4-3-5-10(11)13/h3-7H,1-2H3,(H,14,15,16) |
| InChIKey | AZYVWDBJBZWCIQ-UHFFFAOYSA-N |
| Molecular Weight | 278.153 g/mol |
| SMILES | N(C1=CC=CC=C1Br)C1=NC(=CC(=N1)C)C |