| SpectraBase Compound ID | 9h6xhhPvshg |
|---|---|
| InChI | InChI=1S/C10H10N2O4/c1-7(13)6-10(14)11-8-2-4-9(5-3-8)12(15)16/h2-5H,6H2,1H3,(H,11,14) |
| InChIKey | KCXJQNDNGLRYBN-UHFFFAOYSA-N |
| Mol Weight | 222.2 g/mol |
| Molecular Formula | C10H10N2O4 |
| Exact Mass | 222.064057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4jtR0Ouatx3 |
|---|---|
| Name | Butanamide, N-(4-nitrophenyl)-3-oxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.064056806 u |
| Formula | C10H10N2O4 |
| InChI | InChI=1S/C10H10N2O4/c1-7(13)6-10(14)11-8-2-4-9(5-3-8)12(15)16/h2-5H,6H2,1H3,(H,11,14) |
| InChIKey | KCXJQNDNGLRYBN-UHFFFAOYSA-N |
| SMILES | CC(CC(NC=1C=CC(N(=O)=O)=CC1)=O)=O |