![2,6-Diamino-9-[2,6-dichlorobenzyl]purine](/api/spectrum/2tZAoiucE6e/structure.png?h=300&w=458 "2,6-Diamino-9-[2,6-dichlorobenzyl]purine")
| SpectraBase Compound ID | JsLTVtyEwdi |
|---|---|
| InChI | InChI=1S/C12H10Cl2N6/c13-7-2-1-3-8(14)6(7)4-20-5-17-9-10(15)18-12(16)19-11(9)20/h1-3,5H,4H2,(H4,15,16,18,19) |
| InChIKey | SXLNMLQLYSFXSI-UHFFFAOYSA-N |
| Mol Weight | 309.16 g/mol |
| Molecular Formula | C12H10Cl2N6 |
| Exact Mass | 308.0344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2tZAoiucE6e |
|---|---|
| Name | 2,6-Diamino-9-[2,6-dichlorobenzyl]purine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.034399746 u |
| Formula | C12H10Cl2N6 |
| InChI | InChI=1S/C12H10Cl2N6/c13-7-2-1-3-8(14)6(7)4-20-5-17-9-10(15)18-12(16)19-11(9)20/h1-3,5H,4H2,(H4,15,16,18,19) |
| InChIKey | SXLNMLQLYSFXSI-UHFFFAOYSA-N |
| Molecular Weight | 309.160 g/mol |
| SMILES | C12=C(C(=NC(=N2)N)N)N=CN1CC1=C(C=CC=C1Cl)Cl |