| SpectraBase Compound ID | KjfkvS5qTL6 |
|---|---|
| InChI | InChI=1S/C8H8ClN5/c1-2-3-14-4-11-5-6(9)12-8(10)13-7(5)14/h2,4H,1,3H2,(H2,10,12,13) |
| InChIKey | BSHQNKKUWKGGIP-UHFFFAOYSA-N |
| Mol Weight | 209.64 g/mol |
| Molecular Formula | C8H8ClN5 |
| Exact Mass | 209.046823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KSmWOoOLUPA |
|---|---|
| Name | (9-Allyl-6-chloro-purin-2-yl)amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.046822978 u |
| Formula | C8H8ClN5 |
| InChI | InChI=1S/C8H8ClN5/c1-2-3-14-4-11-5-6(9)12-8(10)13-7(5)14/h2,4H,1,3H2,(H2,10,12,13) |
| InChIKey | BSHQNKKUWKGGIP-UHFFFAOYSA-N |
| SMILES | C=12C(N=CN2CC=C)=C(Cl)N=C(N1)N |