| SpectraBase Spectrum ID |
4VwM4W4F7o |
| Name |
(4R,5S)-4-(3-Bromophenyl)-5-(2-hydroxyphenyl)-1-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/c23-16-8-6-7-15(13-16)19-14-21(26)24(17-9-2-1-3-10-17)22(19)18-11-4-5-12-20(18)25/h1-13,19,22,25H,14H2/t19-,22-/m1/s1 |
| InChIKey |
SPSHXXRNRXUJEF-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 = +75.1 (c = 1.18, CHCl3) |
| Quality |
198 |
| Reported Formula |
C22H18BrNO2 |
| SMILES |
OC1=C([C@@]2([C@@](C3=CC(Br)=CC=C3)(CC(N2C2=CC=CC=C2)=O)[H])[H])C=CC=C1 |
| SPLASH |
splash10-052b-1900500000-e1b98b676a6f76ce4a82 |
| Sample Comments |
dr = 11:1, 94% ee |
| Source of Spectrum |
QE-23-SM18-3p (DOI: 10.1002/chem.201703263) |
| Wiley ID |
1905940 |
