SpectraBase Spectrum ID |
KuQaKVziqrb |
Name |
(3aS,4aS,8aR)-7,7-dimethyloctahydrocyclopenta[1,4]cyclobuta[1,2]benzen-5(6H)-one |
Appearance |
Colorless oil |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C13H20O |
InChI |
InChI=1S/C13H20O/c1-12(2)7-11(14)10-6-9-4-3-5-13(9,10)8-12/h9-10H,3-8H2,1-2H3/t9-,10+,13+/m0/s1 |
InChIKey |
FTKVJWFPGJAHQI-OPQQBVKSSA-N |
Instrument Name |
Thermo Scientific DFS |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/chem.201901304 |
Molecular Weight |
192.302 g/mol |
Optical Rotation |
[a]D25 = +156 (c = 1.3, CH2Cl2) |
Quality |
322 |
Reported Formula |
C13H20O |
SMILES |
C1C([C@@]2([C@]3(CC1(C)C)[C@](C2)(CCC3)[H])[H])=O |
SPLASH |
splash10-055o-6900000000-b5c7978b9b21bc2e1b05 |
Sample Comments |
89% ee |
Source of Spectrum |
QE-25-8143-6d (DOI: 10.1002/chem.201901304) |
Thin-Layer Chromatography |
0.63 (pentane/Et2O, 1:1) |
Wiley ID |
1893714 |