| SpectraBase Compound ID | 9gIBXEkj80C |
|---|---|
| InChI | InChI=1S/C12H8N2O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H |
| InChIKey | NBMOVCYIGUDQJE-UHFFFAOYSA-N |
| Mol Weight | 244.21 g/mol |
| Molecular Formula | C12H8N2O4 |
| Exact Mass | 244.048407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JYj3F3C4a3h |
|---|---|
| Name | Iodinin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.048406742 u |
| Formula | C12H8N2O4 |
| InChI | InChI=1S/C12H8N2O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H |
| InChIKey | NBMOVCYIGUDQJE-UHFFFAOYSA-N |
| Molecular Weight | 244.206 g/mol |
| SMILES | C1=CC2=N(=O)C3=C(C=CC=C3N(=C2C(=C1)O)=O)O |