| SpectraBase Spectrum ID |
2NlwxbSzFNz |
| Name |
4-[(2S,3R)-2-(2-Hydroxyphenyl)-5-oxo-3-phenylpyrrolidin-1-yl]benzonitrile |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.136827826 u |
| Formula |
C23H18N2O2 |
| InChI |
InChI=1S/C23H18N2O2/c24-15-16-10-12-18(13-11-16)25-22(27)14-20(17-6-2-1-3-7-17)23(25)19-8-4-5-9-21(19)26/h1-13,20,23,26H,14H2/t20-,23-/m1/s1 |
| InChIKey |
ZOQJEFMBOMFJJS-NFBKMPQASA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201703263 |
| Molecular Weight |
354.409 g/mol |
| Optical Rotation |
[a]D20 = +124.7 (c = 1.22, acetone) |
| Quality |
170 |
| Reported Formula |
C23H18N2O2 |
| SMILES |
OC1=C(C=CC=C1)[C@]1(N(C(C[C@@]1(C1=CC=CC=C1)[H])=O)C1=CC=C(C=C1)C#N)[H] |
| SPLASH |
splash10-0a6r-1293000000-60d101da1795a9601b71 |
| Sample Comments |
dr = 9:1, 83% ee |
| Source of Spectrum |
QE-23-SM10-3e (DOI: 10.1002/chem.201703263) |
| Wiley ID |
1905929 |
![4-[(2S,3R)-2-(2-Hydroxyphenyl)-5-oxo-3-phenylpyrrolidin-1-yl]benzonitrile](/api/spectrum/2NlwxbSzFNz/structure.png?h=300&w=458 "4-[(2S,3R)-2-(2-Hydroxyphenyl)-5-oxo-3-phenylpyrrolidin-1-yl]benzonitrile")
