| SpectraBase Compound ID | Jriq754ssoi |
|---|---|
| InChI | InChI=1S/C14H13ClN4O2/c1-17-10-12(18(2)14(21)19(3)13(10)20)16-11(17)8-4-6-9(15)7-5-8/h4-7H,1-3H3 |
| InChIKey | ZIBOTMXRMHPZEC-UHFFFAOYSA-N |
| Mol Weight | 304.74 g/mol |
| Molecular Formula | C14H13ClN4O2 |
| Exact Mass | 304.072703 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 | 5aoB0FdezjF |
|---|---|
| Name | 8-(4-Chlorophenyl)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.072703373 u |
| Formula | C14H13ClN4O2 |
| InChI | InChI=1S/C14H13ClN4O2/c1-17-10-12(18(2)14(21)19(3)13(10)20)16-11(17)8-4-6-9(15)7-5-8/h4-7H,1-3H3 |
| InChIKey | ZIBOTMXRMHPZEC-UHFFFAOYSA-N |
| Molecular Weight | 304.737 g/mol |
| SMILES | C1(N(C(C2=C(N1C)N=C(N2C)C1=CC=C(C=C1)Cl)=O)C)=O |