| SpectraBase Spectrum ID |
FNWiwQjmB8s |
| Name |
(2R*,3S*)-3-Butyl-2-ethenyl-2-methylcyclohexanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.167065327 u |
| Formula |
C13H22O |
| InChI |
InChI=1S/C13H22O/c1-4-6-8-11-9-7-10-12(14)13(11,3)5-2/h5,11H,2,4,6-10H2,1,3H3/t11-,13-/m1/s1 |
| InChIKey |
JHWNIUYYLYRYBO-DGCLKSJQSA-N |
| Molecular Weight |
194.318 g/mol |
| SMILES |
[C@]1(C(=O)CCC[C@]1(CCCC)[H])(C=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94524 |
