![2-[(2',3'-Dimethylquinoxalin-6'-yl)aminomethylene]-3-oxobutyronitrile](/api/spectrum/7ILEPUSFcuY/structure.png?h=300&w=458 "2-[(2',3'-Dimethylquinoxalin-6'-yl)aminomethylene]-3-oxobutyronitrile")
| SpectraBase Compound ID | IT3iiBNxSR3 |
|---|---|
| InChI | InChI=1S/C15H14N4O/c1-9-10(2)19-15-6-13(4-5-14(15)18-9)17-8-12(7-16)11(3)20/h4-6,8,17H,1-3H3/b12-8+ |
| InChIKey | ZYCZSPMTHMDYMZ-XYOKQWHBSA-N |
| Mol Weight | 266.3 g/mol |
| Molecular Formula | C15H14N4O |
| Exact Mass | 266.116761 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ILEPUSFcuY |
|---|---|
| Name | 2-[(2',3'-Dimethylquinoxalin-6'-yl)aminomethylene]-3-oxobutyronitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.116761086 u |
| Formula | C15H14N4O |
| InChI | InChI=1S/C15H14N4O/c1-9-10(2)19-15-6-13(4-5-14(15)18-9)17-8-12(7-16)11(3)20/h4-6,8,17H,1-3H3/b12-8+ |
| InChIKey | ZYCZSPMTHMDYMZ-XYOKQWHBSA-N |
| SMILES | C=1(N\C=C/(C#N)C(=O)C)C=C2N=C(C)C(=NC2=CC1)C |