| 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 |
![Benzyl-(1S,6S)-7,7-diethyl-5-oxobicyclo[4.2.0]octane-1-carboxylate](/api/spectrum/2CDFfPlPpJ9/structure.png?h=300&w=458 "Benzyl-(1S,6S)-7,7-diethyl-5-oxobicyclo[4.2.0]octane-1-carboxylate")
