| SpectraBase Spectrum ID |
Bg9DeOxKjw |
| Name |
3-(cis-4'-Tert-butyl-trans-2'-methylcyclohexyl)butyronitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.214349873 u |
| Formula |
C15H27N |
| InChI |
InChI=1S/C15H27N/c1-11(8-9-16)14-7-6-13(10-12(14)2)15(3,4)5/h11-14H,6-8,10H2,1-5H3/t11?,12-,13-,14+/m1/s1 |
| InChIKey |
AUWQXJUUXCJYQR-CPIKKWJDSA-N |
| Molecular Weight |
221.388 g/mol |
| SMILES |
C(#N)CC([C@]1([C@@](C[C@@](CC1)(C(C)(C)C)[H])(C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962471 |
