SpectraBase Spectrum ID |
2CDFfPlPpJ9 |
Name |
Benzyl-(1S,6S)-7,7-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)14-20(12-8-11-16(21)17(19)20)18(22)23-13-15-9-6-5-7-10-15/h5-7,9-10,17H,3-4,8,11-14H2,1-2H3/t17-,20-/m0/s1 |
InChIKey |
BGSZQSGRLRBINL-PXNSSMCTSA-N |
Instrument Name |
Thermo Scientific DFS-HRMS |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/chem.202000720 |
Molecular Weight |
314.425 g/mol |
Reported Formula |
C20H26O3 |
SMILES |
c1cc(ccc1)COC(=O)[C@@]12[C@](C(C2)(CC)CC)(C(CCC1)=O)[H] |
SPLASH |
splash10-0006-9230000000-ba17a88e76edd95e6b14 |
Sample Comments |
79% ee, er = 89:11 |
Source of Spectrum |
QE-26-SM27-16 |
Thin-Layer Chromatography |
Rf = 0.50 (P/Et2O, 2:1) |
Wiley ID |
1858662 |