| SpectraBase Compound ID | FtXFeXD50m |
|---|---|
| InChI | InChI=1S/C13H11N3O2/c1-8-7-12(18-15-8)16-9(2)14-11-6-4-3-5-10(11)13(16)17/h3-7H,1-2H3 |
| InChIKey | OBKNRVAXTAVHHJ-UHFFFAOYSA-N |
| Mol Weight | 241.25 g/mol |
| Molecular Formula | C13H11N3O2 |
| Exact Mass | 241.085127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4l1LLZ8VZd0 |
|---|---|
| Name | 2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.085126604 u |
| Formula | C13H11N3O2 |
| InChI | InChI=1S/C13H11N3O2/c1-8-7-12(18-15-8)16-9(2)14-11-6-4-3-5-10(11)13(16)17/h3-7H,1-2H3 |
| InChIKey | OBKNRVAXTAVHHJ-UHFFFAOYSA-N |
| Molecular Weight | 241.250 g/mol |
| SMILES | C1=CC=C2C(=C1)C(N(C(=N2)C)C1=CC(=NO1)C)=O |