![[9-Benzyl-9H-purin-6'-yl]-amine](/api/spectrum/2eoAUC1JDGt/structure.png?h=300&w=458 "[9-Benzyl-9H-purin-6'-yl]-amine")
| SpectraBase Compound ID | JuAc3kCaWmi |
|---|---|
| InChI | InChI=1S/C12H11N5/c13-11-10-12(15-7-14-11)16-8-17(10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,13,14,15) |
| InChIKey | QRQWXKYGJDARPM-UHFFFAOYSA-N |
| Mol Weight | 225.25 g/mol |
| Molecular Formula | C12H11N5 |
| Exact Mass | 225.101445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2eoAUC1JDGt |
|---|---|
| Name | [9-Benzyl-9H-purin-6'-yl]-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.101445374 u |
| Formula | C12H11N5 |
| InChI | InChI=1S/C12H11N5/c13-11-10-12(15-7-14-11)16-8-17(10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,13,14,15) |
| InChIKey | QRQWXKYGJDARPM-UHFFFAOYSA-N |
| Molecular Weight | 225.255 g/mol |
| SMILES | C=12N(C=NC2=NC=NC1N)CC=1C=CC=CC1 |