| SpectraBase Compound ID | NqXLmJAD1N |
|---|---|
| InChI | InChI=1S/C17H11BrN4/c18-11-9-19-17(20-10-11)22-16-12-5-1-3-7-14(12)21-15-8-4-2-6-13(15)16/h1-10H,(H,19,20,21,22) |
| InChIKey | HLWSRCHLIMNUCL-UHFFFAOYSA-N |
| Mol Weight | 351.21 g/mol |
| Molecular Formula | C17H11BrN4 |
| Exact Mass | 350.016709 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ci4SpNO2Jp8 |
|---|---|
| Name | 9-(5-Bromo-2-pyrimidinylamino)acridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.016709370 u |
| Formula | C17H11BrN4 |
| InChI | InChI=1S/C17H11BrN4/c18-11-9-19-17(20-10-11)22-16-12-5-1-3-7-14(12)21-15-8-4-2-6-13(15)16/h1-10H,(H,19,20,21,22) |
| InChIKey | HLWSRCHLIMNUCL-UHFFFAOYSA-N |
| Molecular Weight | 351.207 g/mol |
| SMILES | C=1(C=2C(=CC=CC2)N=C2C1C=CC=C2)NC=1N=CC(=CN1)Br |