| SpectraBase Spectrum ID |
CVFiIZI0zDA |
| Name |
1-[((1'R,3'S,6'S)-2',2',3',6'-tetramethylcyclohex-1'-yl)oxy]pentan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.208930140 u |
| Formula |
C15H28O2 |
| InChI |
InChI=1S/C15H28O2/c1-6-7-13(16)10-17-14-11(2)8-9-12(3)15(14,4)5/h11-12,14H,6-10H2,1-5H3/t11-,12-,14+/m0/s1 |
| InChIKey |
DAXBQDMANQXHBA-SGMGOOAPSA-N |
| Molecular Weight |
240.387 g/mol |
| SMILES |
C1([C@](OCC(=O)CCC)([C@@](C)(CC[C@@]1(C)[H])[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880038 |
![1-[((1'R,3'S,6'S)-2',2',3',6'-tetramethylcyclohex-1'-yl)oxy]pentan-2-one](/api/spectrum/CVFiIZI0zDA/structure.png?h=300&w=458 "1-[((1'R,3'S,6'S)-2',2',3',6'-tetramethylcyclohex-1'-yl)oxy]pentan-2-one")
