| SpectraBase Compound ID | ImpG0LSCXLt |
|---|---|
| InChI | InChI=1S/C7H9N5O/c1-2-13-6-4-5(10-3-9-4)11-7(8)12-6/h3H,2H2,1H3,(H3,8,9,10,11,12) |
| InChIKey | SFXXRVSPZSOREJ-UHFFFAOYSA-N |
| Mol Weight | 179.18 g/mol |
| Molecular Formula | C7H9N5O |
| Exact Mass | 179.08071 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CuOlqrotuG5 |
|---|---|
| Name | O6-Ethylguanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.080709929 u |
| Formula | C7H9N5O |
| InChI | InChI=1S/C7H9N5O/c1-2-13-6-4-5(10-3-9-4)11-7(8)12-6/h3H,2H2,1H3,(H3,8,9,10,11,12) |
| InChIKey | SFXXRVSPZSOREJ-UHFFFAOYSA-N |
| SMILES | C1=2N=C(N=C(C2NC=N1)OCC)N |