![3-[(9H-Purin-6-yl)carbamoyl]propanoic acid](/api/spectrum/Bo5yaI4fc9j/structure.png?h=300&w=458 "3-[(9H-Purin-6-yl)carbamoyl]propanoic acid")
| SpectraBase Compound ID | GUwFT0706GN |
|---|---|
| InChI | InChI=1S/C9H9N5O3/c15-5(1-2-6(16)17)14-9-7-8(11-3-10-7)12-4-13-9/h3-4H,1-2H2,(H,16,17)(H2,10,11,12,13,14,15) |
| InChIKey | PQBHLXAMWLYHTB-UHFFFAOYSA-N |
| Mol Weight | 235.2 g/mol |
| Molecular Formula | C9H9N5O3 |
| Exact Mass | 235.070539 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bo5yaI4fc9j |
|---|---|
| Name | 3-[(9H-Purin-6-yl)carbamoyl]propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.070539167 u |
| Formula | C9H9N5O3 |
| InChI | InChI=1S/C9H9N5O3/c15-5(1-2-6(16)17)14-9-7-8(11-3-10-7)12-4-13-9/h3-4H,1-2H2,(H,16,17)(H2,10,11,12,13,14,15) |
| InChIKey | PQBHLXAMWLYHTB-UHFFFAOYSA-N |
| Molecular Weight | 235.203 g/mol |
| SMILES | C(O)(=O)CCC(NC1=C2C(=NC=N1)NC=N2)=O |