| SpectraBase Spectrum ID |
LDcNIWE2B4G |
| Name |
(3S,1'R)-7-Fluoro-3-{2'-methyl-1'-[methyl(phenyl)amino]butan-2'-yl}indolin-2-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.179441531 u |
| Formula |
C20H23FN2O |
| InChI |
InChI=1S/C20H23FN2O/c1-4-20(2,13-23(3)14-9-6-5-7-10-14)17-15-11-8-12-16(21)18(15)22-19(17)24/h5-12,17H,4,13H2,1-3H3,(H,22,24)/t17-,20+/m1/s1 |
| InChIKey |
AEBOHLOPGFXFIO-XLIONFOSSA-N |
| Instrument Name |
Thermo Scientific DFS-HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201600600 |
| Molecular Weight |
326.415 g/mol |
| Quality |
174 |
| Reported Formula |
C20H23FN2O |
| SMILES |
N1C([C@@](C2=C1C(=CC=C2)F)([C@@](CC)(CN(C1=CC=CC=C1)C)C)[H])=O |
| SPLASH |
splash10-007o-9300000000-e2ad7a4d97d44789cceb |
| Sample Comments |
64% ee |
| Source of Spectrum |
QE-22-SM57-epi-8i (DOI: 10.1002/chem.201600600) |
| Thin-Layer Chromatography |
0.46 (n-pentane/EtOAc, 3:1) |
| Wiley ID |
1904863 |
![(3S,1'R)-7-Fluoro-3-{2'-methyl-1'-[methyl(phenyl)amino]butan-2'-yl}indolin-2-one](/api/spectrum/LDcNIWE2B4G/structure.png?h=300&w=458 "(3S,1'R)-7-Fluoro-3-{2'-methyl-1'-[methyl(phenyl)amino]butan-2'-yl}indolin-2-one")
