| SpectraBase Spectrum ID |
HKuhF53R7qd |
| Name |
1-(2',2',6',6'-Tetramethylcyclohexyl)-hex-1-en-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.214015521 u |
| Formula |
C16H28O |
| InChI |
InChI=1S/C16H28O/c1-6-8-13(17)9-10-14-15(2,3)11-7-12-16(14,4)5/h9-10,14H,6-8,11-12H2,1-5H3/b10-9+ |
| InChIKey |
KKGIJOFCCCBKQQ-MDZDMXLPSA-N |
| Molecular Weight |
236.399 g/mol |
| SMILES |
C1(\C=C\C(=O)CCC)C(CCCC1(C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869779 |
