![5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-(2-methylphenyl)-](/api/spectrum/DpY4SHXFR6W/structure.png?h=300&w=458 "5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-(2-methylphenyl)-")
| SpectraBase Compound ID | KAnXouzCtCs |
|---|---|
| InChI | InChI=1S/C14H10N2O2/c1-9-5-2-3-7-11(9)16-13(17)10-6-4-8-15-12(10)14(16)18/h2-8H,1H3 |
| InChIKey | VOHPEZSWMDBMAU-UHFFFAOYSA-N |
| Mol Weight | 238.25 g/mol |
| Molecular Formula | C14H10N2O2 |
| Exact Mass | 238.074228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DpY4SHXFR6W |
|---|---|
| Name | 5H-Pyrrolo[3,4-B]pyridine-5,7(6H)-dione, 6-(2-methylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.074227568 u |
| Formula | C14H10N2O2 |
| InChI | InChI=1S/C14H10N2O2/c1-9-5-2-3-7-11(9)16-13(17)10-6-4-8-15-12(10)14(16)18/h2-8H,1H3 |
| InChIKey | VOHPEZSWMDBMAU-UHFFFAOYSA-N |
| Molecular Weight | 238.246 g/mol |
| SMILES | C1=CC=C(N2C(C3=CC=CN=C3C2=O)=O)C(C)=C1 |