| SpectraBase Compound ID | JAySLfARkN0 |
|---|---|
| InChI | InChI=1S/C19H18N2/c20-14-18-10-6-16(7-11-18)4-2-1-3-5-17-8-12-19(15-21)13-9-17/h6-13H,1-5H2 |
| InChIKey | UKQBXKKVCJARLY-UHFFFAOYSA-N |
| Mol Weight | 274.37 g/mol |
| Molecular Formula | C19H18N2 |
| Exact Mass | 274.146999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | pjfsjsMhSs |
|---|---|
| Name | 4,4'-Pentamethylenedibenzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.146998588 u |
| Formula | C19H18N2 |
| InChI | InChI=1S/C19H18N2/c20-14-18-10-6-16(7-11-18)4-2-1-3-5-17-8-12-19(15-21)13-9-17/h6-13H,1-5H2 |
| InChIKey | UKQBXKKVCJARLY-UHFFFAOYSA-N |
| Molecular Weight | 274.367 g/mol |
| SMILES | C(CCCCC1=CC=C(C#N)C=C1)C1=CC=C(C#N)C=C1 |