| SpectraBase Compound ID | LJyLFYXK2DX |
|---|---|
| InChI | InChI=1S/C18H16N2/c19-13-17-9-5-15(6-10-17)3-1-2-4-16-7-11-18(14-20)12-8-16/h5-12H,1-4H2 |
| InChIKey | ZSQBKABRFVZVOT-UHFFFAOYSA-N |
| Mol Weight | 260.34 g/mol |
| Molecular Formula | C18H16N2 |
| Exact Mass | 260.131349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ZWW300xHAO |
|---|---|
| Name | 4,4'-Tetramethylenedibenzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.131348523 u |
| Formula | C18H16N2 |
| InChI | InChI=1S/C18H16N2/c19-13-17-9-5-15(6-10-17)3-1-2-4-16-7-11-18(14-20)12-8-16/h5-12H,1-4H2 |
| InChIKey | ZSQBKABRFVZVOT-UHFFFAOYSA-N |
| Molecular Weight | 260.340 g/mol |
| SMILES | C=1C(=CC=C(C1)C#N)CCCCC=1C=CC(=CC1)C#N |