| SpectraBase Compound ID | JGwbkgSb5BL |
|---|---|
| InChI | InChI=1S/C10H11N5O/c1-6(2)3-7(16)15-10-8-9(12-4-11-8)13-5-14-10/h3-5H,1-2H3,(H2,11,12,13,14,15,16) |
| InChIKey | XMWLDUPONOYDOB-UHFFFAOYSA-N |
| Mol Weight | 217.23 g/mol |
| Molecular Formula | C10H11N5O |
| Exact Mass | 217.09636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3qrhisI2Kam |
|---|---|
| Name | 2-Butenamide, 3-methyl-N-1H-purin-6-yl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.096359993 u |
| Formula | C10H11N5O |
| InChI | InChI=1S/C10H11N5O/c1-6(2)3-7(16)15-10-8-9(12-4-11-8)13-5-14-10/h3-5H,1-2H3,(H2,11,12,13,14,15,16) |
| InChIKey | XMWLDUPONOYDOB-UHFFFAOYSA-N |
| Molecular Weight | 217.232 g/mol |
| SMILES | C(NC1=C2C(=NC=N1)NC=N2)(C=C(C)C)=O |