| SpectraBase Spectrum ID |
B6vBKcsnYqH |
| Name |
Trans-1,1-dicyano-4,6-diisopropyl-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/c1-14(2)17-10-18(15(3)4)20(12-21,13-22)19(11-17)16-8-6-5-7-9-16/h5-9,11,14-15,18-19H,10H2,1-4H3/t18-,19-/m0/s1 |
| InChIKey |
VUFGQZMTFDREHC-OALUTQOASA-N |
| SMILES |
C(#N)C1([C@](C(C)C)(CC(C(C)C)=C[C@]1(C1=CC=CC=C1)[H])[H])C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920324 |
