| SpectraBase Spectrum ID |
B3aoGbLDTST |
| Name |
(2S*,3S*)-3-Butyl-2-ethenyl-2-methylcyclohexanone |
| Alternate Name(s) |
(2S,3R)-3-butyl-2-methyl-2-vinylcyclohexanone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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-YPMHNXCESA-N |
| Molecular Weight |
194.318 g/mol |
| SMILES |
[C@@]1(C(=O)CCC[C@]1(CCCC)[H])(C=C)C |
| SPLASH |
splash10-0a4i-0900000000-aeed71ceb4d80ac0462d |
| Source of Spectrum |
SO-0-142-0 |
| Wiley ID |
865266 |
