| SpectraBase Compound ID | 42cCAGTs7VA |
|---|---|
| InChI | InChI=1S/C11H15N5O3/c1-2-19-7(17)4-3-5-16-6-13-8-9(16)14-11(12)15-10(8)18/h6H,2-5H2,1H3,(H3,12,14,15,18) |
| InChIKey | RYIUBVRBCKIMTD-UHFFFAOYSA-N |
| Mol Weight | 265.27 g/mol |
| Molecular Formula | C11H15N5O3 |
| Exact Mass | 265.117489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4vohMwezDbW |
|---|---|
| Name | 4-(2-Amino-6-keto-3H-purin-9-yl)butyric acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.117489360 u |
| Formula | C11H15N5O3 |
| InChI | InChI=1S/C11H15N5O3/c1-2-19-7(17)4-3-5-16-6-13-8-9(16)14-11(12)15-10(8)18/h6H,2-5H2,1H3,(H3,12,14,15,18) |
| InChIKey | RYIUBVRBCKIMTD-UHFFFAOYSA-N |
| Molecular Weight | 265.273 g/mol |
| SMILES | C1=NC=2C(NC(=NC2N1CCCC(=O)OCC)N)=O |