| SpectraBase Spectrum ID |
DamxJLRq9BD |
| Name |
(2R,4R)-2-(bromomethyl)-4-ethyl-2,4-diphenylcyclopentan-1-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21BrO |
| InChI |
InChI=1S/C20H21BrO/c1-2-19(16-9-5-3-6-10-16)13-18(22)20(14-19,15-21)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3/t19-,20+/m0/s1 |
| InChIKey |
JJZISLRKAIOPFB-VQTJNVASSA-N |
| Instrument Name |
Agilent 7890A-5975C GC |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.1c02699 |
| Molecular Weight |
357.291 g/mol |
| Optical Rotation |
[a]D24 = +5.2 (c = 0.5, CHCl3) |
| Reported Formula |
C20H21OBr |
| SMILES |
C1[C@@](CC([C@]1(CBr)c1ccccc1)=O)(CC)c1ccccc1 |
| SPLASH |
splash10-014i-0920000000-c8fa6c01653848cbf1f2 |
| Sample Comments |
93% ee, dr >20:1 |
| Source of Spectrum |
JOC-87-SM29-3e |
| Thin-Layer Chromatography |
Rf = 0.48 (PE/EtOAc, 95:5) |
| Wiley ID |
1884216 |
