| SpectraBase Spectrum ID |
4hbX1r8PKiS |
| Name |
4,4'-Tetramethylenedibenzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Raman) |
0.972653 |
