| SpectraBase Spectrum ID |
AmoMYAEQlU7 |
| Name |
(4R,5S)-5-(5-Bromo-2-hydroxyphenyl)-1,4-diphenylpyrrolidin-2-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.052091822 u |
| Formula |
C22H18BrNO2 |
| InChI |
InChI=1S/C22H18BrNO2/c23-16-11-12-20(25)19(13-16)22-18(15-7-3-1-4-8-15)14-21(26)24(22)17-9-5-2-6-10-17/h1-13,18,22,25H,14H2/t18-,22+/m1/s1 |
| InChIKey |
TZMAUSYNROCWOR-GCJKJVERSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201703263 |
| Molecular Weight |
408.295 g/mol |
| Optical Rotation |
[a]D20 = +48.4 (c = 0.78, CHCl3) |
| Quality |
360 |
| Reported Formula |
C22H18BrNO2 |
| SMILES |
OC=1C=CC(Br)=CC1[C@@]1([C@](CC(N1C1=CC=CC=C1)=O)(C1=CC=CC=C1)[H])[H] |
| SPLASH |
splash10-004i-0690100000-3a612bbff635d133fe49 |
| Sample Comments |
dr = 11:1, 93% ee |
| Source of Spectrum |
QE-23-SM12-3h (DOI: 10.1002/chem.201703263) |
| Wiley ID |
1905932 |
