| SpectraBase Spectrum ID |
HaXaFzRARJY |
| Name |
2',3-bis(2-Methylethyl)-1'-hydroxy-3',6-dimethyl[1,1'-bi(cyclohexane)]-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.271530397 u |
| Formula |
C20H36O2 |
| InChI |
InChI=1S/C20H36O2/c1-12(2)16-9-8-15(6)18(19(16)21)20(22)11-14(5)7-10-17(20)13(3)4/h12-18,22H,7-11H2,1-6H3 |
| InChIKey |
MVVUEXUXZRAGDJ-UHFFFAOYSA-N |
| Molecular Weight |
308.506 g/mol |
| SMILES |
C1(C(C(CCC1C)C(C)C)=O)C1(C(CCC(C1)C)C(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974104 |
![2',3-bis(2-Methylethyl)-1'-hydroxy-3',6-dimethyl[1,1'-bi(cyclohexane)]-2-one](/api/spectrum/HaXaFzRARJY/structure.png?h=300&w=458 "2',3-bis(2-Methylethyl)-1'-hydroxy-3',6-dimethyl[1,1'-bi(cyclohexane)]-2-one")
