| SpectraBase Compound ID | 2ERo85NFP05 |
|---|---|
| InChI | InChI=1S/C18H14N4/c1-2-18(22-14-16-7-11-20-12-8-16)4-3-17(1)21-13-15-5-9-19-10-6-15/h1-14H/b21-13+,22-14+ |
| InChIKey | PBUIXULEGNITAX-JFMUQQRKSA-N |
| Mol Weight | 286.34 g/mol |
| Molecular Formula | C18H14N4 |
| Exact Mass | 286.121846 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KCeJxmYAxiL |
|---|---|
| Name | 1-N,4-N-bis(Pyridin-4-ylmethylidene)benzene-1,4-diamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.121846467 u |
| Formula | C18H14N4 |
| InChI | InChI=1S/C18H14N4/c1-2-18(22-14-16-7-11-20-12-8-16)4-3-17(1)21-13-15-5-9-19-10-6-15/h1-14H/b21-13+,22-14+ |
| InChIKey | PBUIXULEGNITAX-JFMUQQRKSA-N |
| Molecular Weight | 286.338 g/mol |
| SMILES | C1=CC(=CC=C1\N=C\C1=CC=NC=C1)\N=C\C=1C=CN=CC1 |