| SpectraBase Spectrum ID |
21DUuVXKouO |
| Name |
(3R,1'R)6-Bromo-3-{2'-methyl-1'-[methyl(p-tolyl)amino]butan-2'-yl}indolin-2-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25BrN2O |
| InChI |
InChI=1S/C21H25BrN2O/c1-5-21(3,13-24(4)16-9-6-14(2)7-10-16)19-17-11-8-15(22)12-18(17)23-20(19)25/h6-12,19H,5,13H2,1-4H3,(H,23,25)/t19-,21+/m1/s1 |
| InChIKey |
OAEJFZDPXXAUBO-CTNGQTDRSA-N |
| Instrument Name |
Thermo Scientific DFS-HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201600600 |
| Molecular Weight |
401.348 g/mol |
| Quality |
40 |
| Reported Formula |
C21H25N2O(79)Br |
| SMILES |
N1C([C@@](C2=C1C=C(C=C2)Br)([C@@](CC)(CN(C1=CC=C(C=C1)C)C)C)[H])=O |
| SPLASH |
splash10-05gi-0910000000-17abd3443d4d23afbb2d |
| Sample Comments |
67% ee |
| Source of Spectrum |
QE-22-SM53-rac-8g (DOI: 10.1002/chem.201600600) |
| Thin-Layer Chromatography |
0.44 (n-pentane/EtOAc, 3:1) |
| Wiley ID |
1904869 |
![(3R,1'R)6-Bromo-3-{2'-methyl-1'-[methyl(p-tolyl)amino]butan-2'-yl}indolin-2-one](/api/spectrum/21DUuVXKouO/structure.png?h=300&w=458 "(3R,1'R)6-Bromo-3-{2'-methyl-1'-[methyl(p-tolyl)amino]butan-2'-yl}indolin-2-one")
