| SpectraBase Compound ID | KysfeI39OlF |
|---|---|
| InChI | InChI=1S/C9H11N5O2/c1-4(2)7(15)13-9-12-6-5(8(16)14-9)10-3-11-6/h3-4H,1-2H3,(H3,10,11,12,13,14,15,16) |
| InChIKey | CFIBTBBTJWHPQV-UHFFFAOYSA-N |
| Mol Weight | 221.22 g/mol |
| Molecular Formula | C9H11N5O2 |
| Exact Mass | 221.091275 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GLZvkVSsjhK |
|---|---|
| Name | Propanamide, N-(6,7-dihydro-6-oxo-1H-purin-2-yl)-2-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.091274612 u |
| Formula | C9H11N5O2 |
| InChI | InChI=1S/C9H11N5O2/c1-4(2)7(15)13-9-12-6-5(8(16)14-9)10-3-11-6/h3-4H,1-2H3,(H3,10,11,12,13,14,15,16) |
| InChIKey | CFIBTBBTJWHPQV-UHFFFAOYSA-N |
| Molecular Weight | 221.220 g/mol |
| SMILES | CC(C(=O)NC1=NC=2NC=NC2C(N1)=O)C |