| SpectraBase Spectrum ID |
HuveewDCoaG |
| Name |
(4R,5S)-5-(2-Hydroxy-5-methoxyphenyl)-1,4-diphenylpyrrolidin-2-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.152143537 u |
| Formula |
C23H21NO3 |
| InChI |
InChI=1S/C23H21NO3/c1-27-18-12-13-21(25)20(14-18)23-19(16-8-4-2-5-9-16)15-22(26)24(23)17-10-6-3-7-11-17/h2-14,19,23,25H,15H2,1H3/t19-,23+/m1/s1 |
| InChIKey |
CEMVWLZRKDHBTL-XXBNENTESA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201703263 |
| Molecular Weight |
359.425 g/mol |
| Optical Rotation |
[a]D20 = +72.1 (c = 1.11, CHCl3) |
| Quality |
254 |
| Reported Formula |
C23H21NO3 |
| SMILES |
OC1=C(C=C(C=C1)OC)[C@@]1([C@](CC(N1C1=CC=CC=C1)=O)(C1=CC=CC=C1)[H])[H] |
| SPLASH |
splash10-08or-0293000000-51c3aa0a54dcfdec8acd |
| Sample Comments |
dr = 8:1, 93% ee |
| Source of Spectrum |
QE-23-SM13-3i (DOI: 10.1002/chem.201703263) |
| Wiley ID |
1905933 |
