![5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-[3-(trifluoromethyl)phenyl]-](/api/spectrum/7tY7zWi6eK7/structure.png?h=300&w=458 "5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-[3-(trifluoromethyl)phenyl]-")
| SpectraBase Compound ID | 5pTLkExkWv5 |
|---|---|
| InChI | InChI=1S/C14H7F3N2O2/c15-14(16,17)8-3-1-4-9(7-8)19-12(20)10-5-2-6-18-11(10)13(19)21/h1-7H |
| InChIKey | MUQJFXQQQALEOR-UHFFFAOYSA-N |
| Mol Weight | 292.22 g/mol |
| Molecular Formula | C14H7F3N2O2 |
| Exact Mass | 292.045962 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7tY7zWi6eK7 |
|---|---|
| Name | 5H-Pyrrolo[3,4-B]pyridine-5,7(6H)-dione, 6-[3-(trifluoromethyl)phenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.045961960 u |
| Formula | C14H7F3N2O2 |
| InChI | InChI=1S/C14H7F3N2O2/c15-14(16,17)8-3-1-4-9(7-8)19-12(20)10-5-2-6-18-11(10)13(19)21/h1-7H |
| InChIKey | MUQJFXQQQALEOR-UHFFFAOYSA-N |
| Molecular Weight | 292.217 g/mol |
| SMILES | C=1C=C2C(N(C(C2=NC1)=O)C1=CC(C(F)(F)F)=CC=C1)=O |