| SpectraBase Spectrum ID |
GMkN98Shrqh |
| Name |
(2R,4R)-2-(bromomethyl)-4-methyl-4-phenyl-2-(o-tolyl)cyclopentan-1-one |
| Appearance |
Yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21BrO |
| InChI |
InChI=1S/C20H21BrO/c1-15-8-6-7-11-17(15)20(14-21)13-19(2,12-18(20)22)16-9-4-3-5-10-16/h3-11H,12-14H2,1-2H3/t19-,20+/m0/s1 |
| InChIKey |
TTYAFDNVJGLYEJ-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]D20 = +20.3 (c = 1, CHCl3) |
| Reported Formula |
C20H21OBr |
| SMILES |
C1[C@@](CC([C@]1(CBr)c1ccccc1C)=O)(C)c1ccccc1 |
| SPLASH |
splash10-014i-0900000000-c32d9233989ea79d5282 |
| Sample Comments |
45% ee, dr >20:1 |
| Source of Spectrum |
JOC-87-SM35-3l |
| Thin-Layer Chromatography |
Rf = 0.56 (PE/EtAcO, 95:5) |
| Wiley ID |
1884223 |
