| SpectraBase Spectrum ID |
H5JvU2WkILq |
| Name |
trans-4-Methyloctahydrocyclopenta[1,4]cyclobuta[1,2]benzen-5(6H)-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
178.135765199 u |
| Formula |
C12H18O |
| InChI |
InChI=1S/C12H18O/c1-8-9-4-2-6-12(9)7-3-5-10(13)11(8)12/h8-9,11H,2-7H2,1H3/t8-,9-,11+,12+/m1/s1 |
| InChIKey |
CILAGEUDZUHYTL-LSKIRQOJSA-N |
| Instrument Name |
Agilent MS5977A MSD-Agilent 7890 B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201700837 |
| Molecular Weight |
178.275 g/mol |
| Quality |
217 |
| Reported Formula |
C12H18O |
| SMILES |
C1([C@@]2([C@@]([C@@]3([C@]2(CCC3)CCC1)[H])(C)[H])[H])=O |
| SPLASH |
splash10-024i-1900000000-500da3fe17767e8c86e4 |
| Sample Comments |
dr = 67:33 |
| Source of Spectrum |
ACI-56-SM49-trans-6 (DOI: 10.1002/anie.201700837) |
| Thin-Layer Chromatography |
0.20 (P/Et2O, 10:1) [KMnO4] |
| Wiley ID |
1895711 |
![trans-4-Methyloctahydrocyclopenta[1,4]cyclobuta[1,2]benzen-5(6H)-one](/api/spectrum/H5JvU2WkILq/structure.png?h=300&w=458 "trans-4-Methyloctahydrocyclopenta[1,4]cyclobuta[1,2]benzen-5(6H)-one")
