| SpectraBase Spectrum ID |
FLdJUzAGKiq |
| Name |
1-(2,2,6,6-Tetramethylcyclohexyl)-3-hexanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.229665585 u |
| Formula |
C16H30O |
| InChI |
InChI=1S/C16H30O/c1-6-8-13(17)9-10-14-15(2,3)11-7-12-16(14,4)5/h14H,6-12H2,1-5H3 |
| InChIKey |
ARFJCZXAJLBJFL-UHFFFAOYSA-N |
| Molecular Weight |
238.415 g/mol |
| SMILES |
C1(C(CCCC1(C)C)(C)C)CCC(=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912256 |
