| SpectraBase Spectrum ID |
H8fkbmAthp |
| Name |
(3aR,4aS,8aS)-2,2-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)7-9-6-10-11(14)4-3-5-13(9,10)8-12/h9-10H,3-8H2,1-2H3/t9-,10-,13+/m1/s1 |
| InChIKey |
ZSCHSMYEVKLZCU-BREBYQMCSA-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 = +97.7 (c = 1.5, CH2Cl2) |
| Quality |
503 |
| Reported Formula |
C13H20O |
| SMILES |
C1C([C@@]2([C@]3(CC1)[C@](C2)(CC(C3)(C)C)[H])[H])=O |
| SPLASH |
splash10-0btc-4900000000-17bf47b40094ce09cb50 |
| Sample Comments |
86% ee |
| Source of Spectrum |
QE-25-8143-6b (DOI: 10.1002/chem.201901304) |
| Thin-Layer Chromatography |
0.51 (pentane/Et2O, 1:1) |
| Wiley ID |
1893712 |
![(3aR,4aS,8aS)-2,2-dimethyloctahydrocyclopenta[1,4]cyclobuta[1,2]benzen-5(6H)-one](/api/spectrum/H8fkbmAthp/structure.png?h=300&w=458 "(3aR,4aS,8aS)-2,2-dimethyloctahydrocyclopenta[1,4]cyclobuta[1,2]benzen-5(6H)-one")
