![6-methyl-1-phenyl-4H-pyrazolo[3,4-d] [1,3]oxazin-4-one](/api/spectrum/D0kRzWollts/structure.png?h=300&w=458 "6-methyl-1-phenyl-4H-pyrazolo[3,4-d] [1,3]oxazin-4-one")
| SpectraBase Compound ID | Ay3a5Sc7Zv3 |
|---|---|
| InChI | InChI=1S/C12H9N3O2/c1-8-14-11-10(12(16)17-8)7-13-15(11)9-5-3-2-4-6-9/h2-7H,1H3 |
| InChIKey | ALZLWSABZARACT-UHFFFAOYSA-N |
| Mol Weight | 227.22 g/mol |
| Molecular Formula | C12H9N3O2 |
| Exact Mass | 227.069477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D0kRzWollts |
|---|---|
| Name | 6-Methyl-1-phenyl-4H-pyrazolo[3,4-D] [1,3]oxazin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.069476540 u |
| Formula | C12H9N3O2 |
| InChI | InChI=1S/C12H9N3O2/c1-8-14-11-10(12(16)17-8)7-13-15(11)9-5-3-2-4-6-9/h2-7H,1H3 |
| InChIKey | ALZLWSABZARACT-UHFFFAOYSA-N |
| Molecular Weight | 227.223 g/mol |
| SMILES | C=12C(OC(=NC1N(N=C2)C=1C=CC=CC1)C)=O |