| SpectraBase Spectrum ID |
CVgzHnZFp |
| Name |
(2R,4R)-2-(bromomethyl)-4-methyl-4-phenyl-2-(4-(trifluoromethyl)phenyl)cyclopentan-1-one |
| Appearance |
Yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H18BrF3O |
| InChI |
InChI=1S/C20H18BrF3O/c1-18(14-5-3-2-4-6-14)11-17(25)19(12-18,13-21)15-7-9-16(10-8-15)20(22,23)24/h2-10H,11-13H2,1H3/t18-,19+/m0/s1 |
| InChIKey |
JKAPDGCCWZHTHN-RBUKOAKNSA-N |
| Instrument Name |
Agilent 7890A-5975C GC |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.1c02699 |
| Molecular Weight |
411.262 g/mol |
| Optical Rotation |
[a]D20= +20.8 (c = 1, CHCl3) |
| Reported Formula |
C20H18OF3Br |
| SMILES |
C1[C@@](CC([C@]1(CBr)c1ccc(cc1)C(F)(F)F)=O)(C)c1ccccc1 |
| SPLASH |
splash10-014r-0900000000-479e00a4aa6f8887ddef |
| Sample Comments |
86% ee, dr 9:1 |
| Source of Spectrum |
JOC-87-SM34-3k |
| Thin-Layer Chromatography |
Rf = 0.51 (PE/EtAcO, 95:5) |
| Wiley ID |
1884222 |
