| SpectraBase Spectrum ID |
TPIJT5ZAVK |
| Name |
Benzyl-(1R,6S)-7,7,8,8-tetramethyl-5-oxobicyclo[4.2.0]octane-1-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H26O3 |
| InChI |
InChI=1S/C20H26O3/c1-18(2)16-15(21)11-8-12-20(16,19(18,3)4)17(22)23-13-14-9-6-5-7-10-14/h5-7,9-10,16H,8,11-13H2,1-4H3/t16-,20-/m0/s1 |
| InChIKey |
ZXOQRYIZLXPTGI-JXFKEZNVSA-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 |
c1cccc(COC(=O)[C@@]23CCCC(=O)[C@@]3([H])C(C2(C)C)(C)C)c1 |
| SPLASH |
splash10-001l-9000000000-7bdd424d3a453305d102 |
| Sample Comments |
77% ee, er = 89:11 |
| Source of Spectrum |
QE-26-SM32-19 |
| Thin-Layer Chromatography |
Rf = 0.38 (P/Et2O, 2:1) |
| Wiley ID |
1858664 |
![Benzyl-(1R,6S)-7,7,8,8-tetramethyl-5-oxobicyclo[4.2.0]octane-1-carboxylate](/api/spectrum/TPIJT5ZAVK/structure.png?h=300&w=458 "Benzyl-(1R,6S)-7,7,8,8-tetramethyl-5-oxobicyclo[4.2.0]octane-1-carboxylate")
