![1-phenyl-6-(2-thienyl)pyrazolo[3,4-d][1,3]oxazin-4(1H)-one](/api/spectrum/94kYt6XEit4/structure.png?h=300&w=458 "1-phenyl-6-(2-thienyl)pyrazolo[3,4-d][1,3]oxazin-4(1H)-one")
| SpectraBase Compound ID | 49bID37nrU8 |
|---|---|
| InChI | InChI=1S/C15H9N3O2S/c19-15-11-9-16-18(10-5-2-1-3-6-10)13(11)17-14(20-15)12-7-4-8-21-12/h1-9H |
| InChIKey | PEGLBLPCSHFSJR-UHFFFAOYSA-N |
| Mol Weight | 295.32 g/mol |
| Molecular Formula | C15H9N3O2S |
| Exact Mass | 295.041548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 94kYt6XEit4 |
|---|---|
| Name | 1-Phenyl-6-(2-thienyl)pyrazolo[3,4-D][1,3]oxazin-4(1H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.041547714 u |
| Formula | C15H9N3O2S |
| InChI | InChI=1S/C15H9N3O2S/c19-15-11-9-16-18(10-5-2-1-3-6-10)13(11)17-14(20-15)12-7-4-8-21-12/h1-9H |
| InChIKey | PEGLBLPCSHFSJR-UHFFFAOYSA-N |
| Molecular Weight | 295.316 g/mol |
| SMILES | C=12N=C(C=3SC=CC3)OC(C1C=NN2C1=CC=CC=C1)=O |