| SpectraBase Compound ID | AF0fKJ0nyjg |
|---|---|
| InChI | InChI=1S/C8H9N5O2/c1-13-4-12-7(9-2-5(14)15)6-8(13)11-3-10-6/h3-4,9H,2H2,1H3,(H,14,15) |
| InChIKey | KOQUCFVTNGHXSJ-UHFFFAOYSA-N |
| Mol Weight | 207.19 g/mol |
| Molecular Formula | C8H9N5O2 |
| Exact Mass | 207.075625 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 | KyF4036Yms0 |
|---|---|
| Name | (3-Methyl-3H-purin-6-ylamino)-acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.075624548 u |
| Formula | C8H9N5O2 |
| InChI | InChI=1S/C8H9N5O2/c1-13-4-12-7(9-2-5(14)15)6-8(13)11-3-10-6/h3-4,9H,2H2,1H3,(H,14,15) |
| InChIKey | KOQUCFVTNGHXSJ-UHFFFAOYSA-N |
| Molecular Weight | 207.193 g/mol |
| SMILES | C1=2C(N(C)C=NC2NCC(=O)O)=NC=N1 |