| SpectraBase Spectrum ID |
4bCXhOu7PzC |
| Name |
(2S,4R)-2-(bromomethyl)-4-ethyl-2-methyl-4-phenylcyclopentan-1-one |
| Appearance |
Yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H19BrO |
| InChI |
InChI=1S/C15H19BrO/c1-3-15(12-7-5-4-6-8-12)9-13(17)14(2,10-15)11-16/h4-8H,3,9-11H2,1-2H3/t14-,15+/m1/s1 |
| InChIKey |
WQDROROGTIQDKO-CABCVRRESA-N |
| Instrument Name |
Agilent 7890A-5975C GC |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.1c02699 |
| Molecular Weight |
295.220 g/mol |
| Optical Rotation |
[a]D20 = -36.7 (c = 1, CHCl3) |
| SMILES |
C1[C@@](CC([C@]1(CBr)C)=O)(CC)c1ccccc1 |
| SPLASH |
splash10-0a4i-9810000000-411916ce51882ed23358 |
| Sample Comments |
dr = 1.2:1 |
| Source of Spectrum |
JOC-87-SM37-3n |
| Thin-Layer Chromatography |
Rf = 0.48 (PE/EtAcO, 95:5) |
| Wiley ID |
1884225 |
