| SpectraBase Spectrum ID |
H5Chnt29Anj |
| Name |
(2R,4R)-2-(bromomethyl)-4-methyl-2-phenyl-4-(p-tolyl)cyclopentan-1-one |
| Appearance |
Yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21BrO |
| InChI |
InChI=1S/C20H21BrO/c1-15-8-10-16(11-9-15)19(2)12-18(22)20(13-19,14-21)17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3/t19-,20+/m0/s1 |
| InChIKey |
FUNDQSVECAJKSM-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 = +30.2 (c = 1, CHCl3) |
| Reported Formula |
C20H21OBr |
| SMILES |
C1[C@@](CC([C@]1(CBr)c1ccccc1)=O)(C)c1ccc(cc1)C |
| SPLASH |
splash10-014i-0900000000-e3e60024b7ae6e3c08fa |
| Sample Comments |
92% ee, dr >20:1 |
| Source of Spectrum |
JOC-87-SM28-3c |
| Thin-Layer Chromatography |
Rf = 0.59 (PE/EtAcO, 95:5) |
| Wiley ID |
1884214 |
