| SpectraBase Compound ID | 6PKPZ82W9s4 |
|---|---|
| InChI | InChI=1S/C12H11N5/c13-11-10-12(15-7-14-11)17(8-16-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,13,14,15) |
| InChIKey | MRHCSNNEUHXNIC-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 | FOFeK61J8hR |
|---|---|
| Name | 9-Benzyl-9H-purin-6-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)17(8-16-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,13,14,15) |
| InChIKey | MRHCSNNEUHXNIC-UHFFFAOYSA-N |
| Molecular Weight | 225.255 g/mol |
| SMILES | C(N1C2=C(C(N)=NC=N2)N=C1)C1=CC=CC=C1 |