| SpectraBase Compound ID | 7e4eN3E5c9D |
|---|---|
| InChI | InChI=1S/C13H14N6O2/c1-20-8-3-7(4-9(5-8)21-2)17-12-10-11(16-6-15-10)18-13(14)19-12/h3-6H,1-2H3,(H4,14,15,16,17,18,19) |
| InChIKey | OFOQXZGRMZMUIM-UHFFFAOYSA-N |
| Mol Weight | 286.29 g/mol |
| Molecular Formula | C13H14N6O2 |
| Exact Mass | 286.117824 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ItyI5jA475c |
|---|---|
| Name | 9H-Purine-2,6-diamine, N~6~-(3,5-dimethoxyphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.117823713 u |
| Formula | C13H14N6O2 |
| InChI | InChI=1S/C13H14N6O2/c1-20-8-3-7(4-9(5-8)21-2)17-12-10-11(16-6-15-10)18-13(14)19-12/h3-6H,1-2H3,(H4,14,15,16,17,18,19) |
| InChIKey | OFOQXZGRMZMUIM-UHFFFAOYSA-N |
| Molecular Weight | 286.295 g/mol |
| SMILES | NC1=NC(=C2C(=N1)NC=N2)NC=1C=C(OC)C=C(C1)OC |