| SpectraBase Spectrum ID |
AgPB8kN1fGj |
| Name |
(+)-(1'R,3'S,6'S)-1-(2',2',3',6'-tetramethylcyclohexyl)-pentan-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.214015521 u |
| Formula |
C15H28O |
| InChI |
InChI=1S/C15H28O/c1-6-13(16)9-10-14-11(2)7-8-12(3)15(14,4)5/h11-12,14H,6-10H2,1-5H3/t11-,12-,14+/m0/s1 |
| InChIKey |
ZTCAWHVKCJNTRY-SGMGOOAPSA-N |
| Molecular Weight |
224.388 g/mol |
| SMILES |
C(=O)(CC[C@]1(C([C@](CC[C@@]1(C)[H])(C)[H])(C)C)[H])CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959286 |
