| SpectraBase Spectrum ID |
7im8OA7DkGC |
| Name |
(2S,6S)-6-Tert-butyl-2-phenyl-4-propan-2-yl-cyclohex-3-ene-1,1-dicarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.209598845 u |
| Formula |
C21H26N2 |
| InChI |
InChI=1S/C21H26N2/c1-15(2)17-11-18(16-9-7-6-8-10-16)21(13-22,14-23)19(12-17)20(3,4)5/h6-11,15,18-19H,12H2,1-5H3/t18-,19-/m0/s1 |
| InChIKey |
VISZBLABKVQFFF-OALUTQOASA-N |
| Molecular Weight |
306.453 g/mol |
| SMILES |
C1([C@@](C=C(C[C@]1(C(C)(C)C)[H])C(C)C)(C1=CC=CC=C1)[H])(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956437 |
