| SpectraBase Spectrum ID |
Ilh2UESGrYW |
| Name |
Trans-6-tert-butyl-1,1-dicyano-4-ethyl-2-phenylcyclohex-3-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.193948781 u |
| Formula |
C20H24N2 |
| InChI |
InChI=1S/C20H24N2/c1-5-15-11-17(16-9-7-6-8-10-16)20(13-21,14-22)18(12-15)19(2,3)4/h6-11,17-18H,5,12H2,1-4H3/t17-,18-/m0/s1 |
| InChIKey |
YTTKWNQFRLAPPS-ROUUACIJSA-N |
| SMILES |
C1([C@@](C=C(C[C@]1(C(C)(C)C)[H])CC)(C1=CC=CC=C1)[H])(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941307 |
