| SpectraBase Spectrum ID |
LXnACO9L48H |
| Name |
(2R,4R)-2-(bromomethyl)-4-methyl-4-(naphthalen-1-yl)-2-phenylcyclopentan-1-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H21BrO |
| InChI |
InChI=1S/C23H21BrO/c1-22(20-12-11-17-7-5-6-8-18(17)13-20)14-21(25)23(15-22,16-24)19-9-3-2-4-10-19/h2-13H,14-16H2,1H3/t22-,23+/m0/s1 |
| InChIKey |
AXGSOGRPJDHSNH-XZOQPEGZSA-N |
| Instrument Name |
Agilent 7890A-5975C GC |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.1c02699 |
| Molecular Weight |
393.324 g/mol |
| Optical Rotation |
[a]D24 = +27.6 (c = 0.4, CHCl3) |
| Reported Formula |
C23H21OBr |
| SMILES |
C1[C@@](CC([C@]1(CBr)c1ccccc1)=O)(C)c1ccc2c(c1)cccc2 |
| SPLASH |
splash10-014i-0900000000-fc295b07aedf26994fe2 |
| Sample Comments |
92% ee, dr >20:1 |
| Source of Spectrum |
JOC-87-SM27-3b |
| Thin-Layer Chromatography |
Rf = 0.43 (PE/EtOAc, 95:5) |
| Wiley ID |
1884213 |
