| SpectraBase Spectrum ID |
17Og1KEntcG |
| Name |
2,4-di(2-Phenyl-2-cyclohexenyl)-1,5-benzenedicarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.225248910 u |
| Formula |
C32H28N2 |
| InChI |
InChI=1S/C32H28N2/c33-21-25-19-26(22-34)32(30-18-10-8-16-28(30)24-13-5-2-6-14-24)20-31(25)29-17-9-7-15-27(29)23-11-3-1-4-12-23/h1-6,11-16,19-20,29-30H,7-10,17-18H2 |
| InChIKey |
GKYZXFKACDIIRO-UHFFFAOYSA-N |
| Molecular Weight |
440.590 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)C#N)C1C(=CCCC1)C=1C=CC=CC1)C1C(=CCCC1)C=1C=CC=CC1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83594 |
