| SpectraBase Compound ID | KansmPpxU70 |
|---|---|
| InChI | InChI=1S/C13H11Cl2N5/c1-6-17-12(16)10-13(18-6)20(7(2)19-10)11-8(14)4-3-5-9(11)15/h3-5H,1-2H3,(H2,16,17,18) |
| InChIKey | BWGXWGMRJXHQMA-UHFFFAOYSA-N |
| Mol Weight | 308.17 g/mol |
| Molecular Formula | C13H11Cl2N5 |
| Exact Mass | 307.039151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CVKrAT7uAhZ |
|---|---|
| Name | 9-(2,6-Dichlorophenyl)-2,8-dimethyl-6-purinamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.039150774 u |
| Formula | C13H11Cl2N5 |
| InChI | InChI=1S/C13H11Cl2N5/c1-6-17-12(16)10-13(18-6)20(7(2)19-10)11-8(14)4-3-5-9(11)15/h3-5H,1-2H3,(H2,16,17,18) |
| InChIKey | BWGXWGMRJXHQMA-UHFFFAOYSA-N |
| Molecular Weight | 308.172 g/mol |
| SMILES | C=12N(C(=NC2=C(N)N=C(N1)C)C)C=1C(Cl)=CC=CC1Cl |