| SpectraBase Spectrum ID |
8CWX27biXdM |
| Name |
Benzyl-(1S,6S)-5-oxospiro[bicyclo[4.2.0]octane-7,1'-cyclohexane]-1-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O3 |
| InChI |
InChI=1S/C21H26O3/c22-17-10-7-13-21(15-20(18(17)21)11-5-2-6-12-20)19(23)24-14-16-8-3-1-4-9-16/h1,3-4,8-9,18H,2,5-7,10-15H2/t18-,21-/m0/s1 |
| InChIKey |
JAZKMZQSNAFXLU-RXVVDRJESA-N |
| Instrument Name |
Thermo Scientific DFS-HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202000720 |
| Molecular Weight |
326.436 g/mol |
| Reported Formula |
C21H26O3 |
| SMILES |
c1cccc(COC(=O)[C@@]23CCCC(=O)[C@@]3([H])C3(CCCCC3)C2)c1 |
| SPLASH |
splash10-000x-9030000000-3c5a20a5c42d5182d692 |
| Sample Comments |
45% ee, er = 73:27 |
| Source of Spectrum |
QE-26-SM35-21 |
| Thin-Layer Chromatography |
Rf = 0.35 (P/Et2O, 2:1) |
| Wiley ID |
1858666 |
![Benzyl-(1S,6S)-5-oxospiro[bicyclo[4.2.0]octane-7,1'-cyclohexane]-1-carboxylate](/api/spectrum/8CWX27biXdM/structure.png?h=300&w=458 "Benzyl-(1S,6S)-5-oxospiro[bicyclo[4.2.0]octane-7,1'-cyclohexane]-1-carboxylate")
