| SpectraBase Spectrum ID |
EM18gYsyAJL |
| Name |
(4R,5S)-1-(4-Bromophenyl)-5-(2-hydroxyphenyl)-4-phenylpyrrolidin-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/c23-16-10-12-17(13-11-16)24-21(26)14-19(15-6-2-1-3-7-15)22(24)18-8-4-5-9-20(18)25/h1-13,19,22,25H,14H2/t19-,22-/m1/s1 |
| InChIKey |
WGCKIUQIPPXFRX-DENIHFKCSA-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 = +104.6 (c = 1.18, acetone) |
| Quality |
284 |
| Reported Formula |
C22H18BrNO2 |
| SMILES |
OC1=C([C@@]2([C@](CC(N2C2=CC=C(Br)C=C2)=O)(C2=CC=CC=C2)[H])[H])C=CC=C1 |
| SPLASH |
splash10-056r-0390700000-fa00670b17e36033a9d7 |
| Sample Comments |
dr >15:1, 95% ee |
| Source of Spectrum |
QE-23-SM9-3c (DOI: 10.1002/chem.201703263) |
| Wiley ID |
1905927 |
