| SpectraBase Spectrum ID |
DVejeEuefzr |
| Name |
2-Benzyl-3-(2-oxocyclohexyl)isoindolin-1-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.157228918 u |
| Formula |
C21H21NO2 |
| InChI |
InChI=1S/C21H21NO2/c23-19-13-7-6-12-18(19)20-16-10-4-5-11-17(16)21(24)22(20)14-15-8-2-1-3-9-15/h1-5,8-11,18,20H,6-7,12-14H2 |
| InChIKey |
XHKYPAYQCSIUFW-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201504772 |
| Molecular Weight |
319.404 g/mol |
| Reported Formula |
C21H21NO2 |
| SMILES |
C(C1=CC=CC=C1)N1C(=O)C2=C(C=CC=C2)C1C1CCCCC1=O |
| SPLASH |
splash10-004i-0090000000-6169b4d5dfe0be5f1c11 |
| Sample Comments |
Mixture of two diastereoisomers (d1/d2) = (64:36) |
| Source of Spectrum |
QE-22-SM12-4ia (DOI: 10.1002/chem.201504772) |
| Thin-Layer Chromatography |
0.34 (cyclohexane/EtOAc, 70:30) |
| Wiley ID |
1903116 |
