| SpectraBase Compound ID | 9CR3PQHnaIz |
|---|---|
| InChI | InChI=1S/C7H7N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h2-4H,1H2,(H2,8,9,10) |
| InChIKey | FNJZRJBNAIQCGF-UHFFFAOYSA-N |
| Mol Weight | 161.17 g/mol |
| Molecular Formula | C7H7N5 |
| Exact Mass | 161.070145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FUNG4ffHSyT |
|---|---|
| Name | 9H-Purin-6-amine, 9-ethenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.070145245 u |
| Formula | C7H7N5 |
| InChI | InChI=1S/C7H7N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h2-4H,1H2,(H2,8,9,10) |
| InChIKey | FNJZRJBNAIQCGF-UHFFFAOYSA-N |
| Molecular Weight | 161.168 g/mol |
| SMILES | C1(N)=NC=NC2=C1N=CN2C=C |