| SpectraBase Compound ID | 8rfE9TXRLd7 |
|---|---|
| InChI | InChI=1S/C11H8N2O4/c1-7-5-10(14)12(11(7)15)8-3-2-4-9(6-8)13(16)17/h2-4,6H,1,5H2 |
| InChIKey | TWJLGJLXYPIWKO-UHFFFAOYSA-N |
| Mol Weight | 232.19 g/mol |
| Molecular Formula | C11H8N2O4 |
| Exact Mass | 232.048407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IWWoPo7lU0f |
|---|---|
| Name | B 720 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.048406742 u |
| Formula | C11H8N2O4 |
| InChI | InChI=1S/C11H8N2O4/c1-7-5-10(14)12(11(7)15)8-3-2-4-9(6-8)13(16)17/h2-4,6H,1,5H2 |
| InChIKey | TWJLGJLXYPIWKO-UHFFFAOYSA-N |
| Molecular Weight | 232.195 g/mol |
| SMILES | N(=O)(=O)C1=CC(=CC=C1)N1C(CC(C1=O)=C)=O |