| SpectraBase Compound ID | BwUyVl4aj8e |
|---|---|
| InChI | InChI=1S/C10H10N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h1,6H,5H2,2-3H3 |
| InChIKey | IORPOFJLSIHJOG-UHFFFAOYSA-N |
| Mol Weight | 218.22 g/mol |
| Molecular Formula | C10H10N4O2 |
| Exact Mass | 218.080376 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 | EwvhTrtteOc |
|---|---|
| Name | 3,7-Dimethyl-1-propargyl-2,3,5,6-tetrahydropurine-2,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.080375576 u |
| Formula | C10H10N4O2 |
| InChI | InChI=1S/C10H10N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h1,6H,5H2,2-3H3 |
| InChIKey | IORPOFJLSIHJOG-UHFFFAOYSA-N |
| Molecular Weight | 218.216 g/mol |
| SMILES | C12=C(C(=O)N(C(N2C)=O)CC#C)N(C)C=N1 |