| SpectraBase Spectrum ID |
JZFYsc4VBrr |
| Name |
(2R,4R)-2-(bromomethyl)-2-(4-chlorophenyl)-4-methyl-4-phenylcyclopentan-1-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H18BrClO |
| InChI |
InChI=1S/C19H18BrClO/c1-18(14-5-3-2-4-6-14)11-17(22)19(12-18,13-20)15-7-9-16(21)10-8-15/h2-10H,11-13H2,1H3/t18-,19+/m0/s1 |
| InChIKey |
NZBUPVFDLPVRBZ-RBUKOAKNSA-N |
| Instrument Name |
Agilent 7890A-5975C GC |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.1c02699 |
| Molecular Weight |
377.709 g/mol |
| Optical Rotation |
[a]D26 = +391.2 (c = 0.1, CHCl3) |
| Reported Formula |
C19H18OBrCl |
| SMILES |
C1[C@@](CC([C@]1(CBr)c1ccc(cc1)Cl)=O)(C)c1ccccc1 |
| SPLASH |
splash10-0udi-0920000000-b3af863b1b4cf377a4cc |
| Sample Comments |
95% ee, dr >20:1 |
| Source of Spectrum |
JOC-87-SM33-3j |
| Thin-Layer Chromatography |
Rf = 0.38 (PE/EtOAc, 95:5) |
| Wiley ID |
1884221 |
