| SpectraBase Compound ID | IWgF9lTk296 |
|---|---|
| InChI | InChI=1S/C10H12N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h4,6H,1,5H2,2-3H3 |
| InChIKey | BTFHIKZOEZREBX-UHFFFAOYSA-N |
| Mol Weight | 220.23 g/mol |
| Molecular Formula | C10H12N4O2 |
| Exact Mass | 220.096026 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 | Iwx5rx2dXR2 |
|---|---|
| Name | 1-Allyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.096025640 u |
| Formula | C10H12N4O2 |
| InChI | InChI=1S/C10H12N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h4,6H,1,5H2,2-3H3 |
| InChIKey | BTFHIKZOEZREBX-UHFFFAOYSA-N |
| Molecular Weight | 220.232 g/mol |
| SMILES | C1=2N(C=NC2N(C(=O)N(C1=O)CC=C)C)C |