![2-[(2',3'-Dimethylquinoxalin-6'-yl)aminomethylene]-malonitrile](/api/spectrum/D5wIbKO8Dm3/structure.png?h=300&w=458 "2-[(2',3'-Dimethylquinoxalin-6'-yl)aminomethylene]-malonitrile")
| SpectraBase Compound ID | FdbSUJzQHOP |
|---|---|
| InChI | InChI=1S/C14H11N5/c1-9-10(2)19-14-5-12(3-4-13(14)18-9)17-8-11(6-15)7-16/h3-5,8,17H,1-2H3 |
| InChIKey | XALAUEIEIROJJS-UHFFFAOYSA-N |
| Mol Weight | 249.28 g/mol |
| Molecular Formula | C14H11N5 |
| Exact Mass | 249.101445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D5wIbKO8Dm3 |
|---|---|
| Name | 2-[(2',3'-Dimethylquinoxalin-6'-yl)aminomethylene]-malonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.101445374 u |
| Formula | C14H11N5 |
| InChI | InChI=1S/C14H11N5/c1-9-10(2)19-14-5-12(3-4-13(14)18-9)17-8-11(6-15)7-16/h3-5,8,17H,1-2H3 |
| InChIKey | XALAUEIEIROJJS-UHFFFAOYSA-N |
| Molecular Weight | 249.277 g/mol |
| SMILES | C12=NC(=C(N=C2C=CC(NC=C(C#N)C#N)=C1)C)C |