| SpectraBase Compound ID | 1Q5YLLc7Smd |
|---|---|
| InChI | InChI=1S/C12H10N2O4/c1-7(15)11-8(2)18-13-12(11)9-3-5-10(6-4-9)14(16)17/h3-6H,1-2H3 |
| InChIKey | PCOCNIXRHQMPRP-UHFFFAOYSA-N |
| Mol Weight | 246.22 g/mol |
| Molecular Formula | C12H10N2O4 |
| Exact Mass | 246.064057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FbmdPW1Uk6n |
|---|---|
| Name | 4-Acetyl-5-methyl-3-(p-nitrophenyl)isoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.064056806 u |
| Formula | C12H10N2O4 |
| InChI | InChI=1S/C12H10N2O4/c1-7(15)11-8(2)18-13-12(11)9-3-5-10(6-4-9)14(16)17/h3-6H,1-2H3 |
| InChIKey | PCOCNIXRHQMPRP-UHFFFAOYSA-N |
| Molecular Weight | 246.222 g/mol |
| SMILES | N(=O)(=O)C1=CC=C(C=C1)C=1C(=C(ON1)C)C(C)=O |