| SpectraBase Spectrum ID |
5COYvlbmnDF |
| Name |
rac-(3aR,4aR,8aR)-3a-Methyloctahydrocyclopenta[1,4]cyclobuta[1,2]benzen-5(6H)-one |
| Appearance |
Colourless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
178.135765199 u |
| Formula |
C12H18O |
| InChI |
InChI=1S/C12H18O/c1-11-5-3-7-12(11)6-2-4-10(13)9(12)8-11/h9H,2-8H2,1H3/t9-,11+,12-/m0/s1 |
| InChIKey |
HQCOJSRPXCSZLZ-WCQGTBRESA-N |
| Instrument Name |
Thermo Scientific DFS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201710441 |
| Molecular Weight |
178.275 g/mol |
| Quality |
289 |
| Reported Formula |
C12H18O |
| SMILES |
C1C([C@]2([C@@]3(CC1)[C@@](C2)(CCC3)C)[H])=O |
| SPLASH |
splash10-01wo-7900000000-cb462d2a1ea5100ddebd |
| Source of Spectrum |
ACI-57-SM13-rac-9a (DOI: 10.1002/anie.201710441) |
| Thin-Layer Chromatography |
0.58 (Pentane/Et2O, 1:1) |
| Wiley ID |
1891109 |
![rac-(3aR,4aR,8aR)-3a-Methyloctahydrocyclopenta[1,4]cyclobuta[1,2]benzen-5(6H)-one](/api/spectrum/5COYvlbmnDF/structure.png?h=300&w=458 "rac-(3aR,4aR,8aR)-3a-Methyloctahydrocyclopenta[1,4]cyclobuta[1,2]benzen-5(6H)-one")
