| SpectraBase Spectrum ID |
5NgilEVZ1b2 |
| Name |
(3S,1'R)-6-Bromo-3-{1'-[(4''-fluorophenyl)(methyl)amino]-2'-methylbutan-2'-yl}indolin-2-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.089954498 u |
| Formula |
C20H22BrFN2O |
| InChI |
InChI=1S/C20H22BrFN2O/c1-4-20(2,12-24(3)15-8-6-14(22)7-9-15)18-16-10-5-13(21)11-17(16)23-19(18)25/h5-11,18H,4,12H2,1-3H3,(H,23,25)/t18-,20-/m0/s1 |
| InChIKey |
QBJWCZUTHSEMNR-ICSRJNTNSA-N |
| Instrument Name |
Thermo Scientific DFS-HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201600600 |
| Molecular Weight |
405.311 g/mol |
| Quality |
43 |
| Reported Formula |
C20H22N2O(79)Br |
| SMILES |
N1C([C@](C2=C1C=C(C=C2)Br)([C@@](CC)(CN(C1=CC=C(C=C1)F)C)C)[H])=O |
| SPLASH |
splash10-00di-0910000000-9292336d92550d7fe506 |
| Sample Comments |
66% ee |
| Source of Spectrum |
QE-22-SM55-epi-8h (DOI: 10.1002/chem.201600600) |
| Thin-Layer Chromatography |
0.41 (n-pentane/EtOAc, 3:1) |
| Wiley ID |
1904862 |
![(3S,1'R)-6-Bromo-3-{1'-[(4''-fluorophenyl)(methyl)amino]-2'-methylbutan-2'-yl}indolin-2-one](/api/spectrum/5NgilEVZ1b2/structure.png?h=300&w=458 "(3S,1'R)-6-Bromo-3-{1'-[(4''-fluorophenyl)(methyl)amino]-2'-methylbutan-2'-yl}indolin-2-one")
