| SpectraBase Spectrum ID |
E9UghjBibIY |
| Name |
benzyl-(1R,6S)-8,8-diethyl-5-oxobicyclo[4.2.0]octane-1-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H26O3 |
| InChI |
InChI=1S/C20H26O3/c1-3-19(4-2)13-16-17(21)11-8-12-20(16,19)18(22)23-14-15-9-6-5-7-10-15/h5-7,9-10,16H,3-4,8,11-14H2,1-2H3/t16-,20+/m1/s1 |
| InChIKey |
STJISRCWZPRBAR-UZLBHIALSA-N |
| Instrument Name |
Thermo Scientific DFS-HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202000720 |
| Molecular Weight |
314.425 g/mol |
| Optical Rotation |
[a]D25 = +53.3 (c = 0.60, iPrOH) |
| Reported Formula |
C20H26O3 |
| SMILES |
c1ccccc1COC(=O)[C@]12C(C[C@@]2(C(CCC1)=O)[H])(CC)CC |
| SPLASH |
splash10-000x-9030000000-18af95ebd7797e8fd2dc |
| Sample Comments |
31-44% ee, er = 72:28 |
| Source of Spectrum |
QE-26-SM28-15 |
| Thin-Layer Chromatography |
Rf = 0.41 (P/Et2O, 2:1) |
| Wiley ID |
1858661 |
![benzyl-(1R,6S)-8,8-diethyl-5-oxobicyclo[4.2.0]octane-1-carboxylate](/api/spectrum/E9UghjBibIY/structure.png?h=300&w=458 "benzyl-(1R,6S)-8,8-diethyl-5-oxobicyclo[4.2.0]octane-1-carboxylate")
