| SpectraBase Spectrum ID |
3YFv1yd1FMf |
| Name |
(4R,5S)-5-(2-Hydroxy-4-methylphenyl)-1,4-diphenylpyrrolidin-2-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.157228918 u |
| Formula |
C23H21NO2 |
| InChI |
InChI=1S/C23H21NO2/c1-16-12-13-19(21(25)14-16)23-20(17-8-4-2-5-9-17)15-22(26)24(23)18-10-6-3-7-11-18/h2-14,20,23,25H,15H2,1H3/t20-,23-/m1/s1 |
| InChIKey |
OKTVKFDKECTEOV-NFBKMPQASA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201703263 |
| Molecular Weight |
343.426 g/mol |
| Optical Rotation |
[a]D20 = +91.2 (c = 0.54, CHCl3) |
| Quality |
81 |
| Reported Formula |
C23H21NO2 |
| SMILES |
OC1=C(C=CC(=C1)C)[C@@]1([C@](CC(N1C1=CC=CC=C1)=O)(C1=CC=CC=C1)[H])[H] |
| SPLASH |
splash10-0imi-9073000000-440fae18205b4ace6152 |
| Sample Comments |
dr = 10:1, 81% ee |
| Source of Spectrum |
QE-23-SM14-3j (DOI: 10.1002/chem.201703263) |
| Wiley ID |
1905934 |
