| SpectraBase Spectrum ID |
6jD4sdijt0L |
| Name |
(S)-Ethyl 2-(3-((tert-butoxycarbonyl)amino)-1-(4-methoxybenzyl)-2-oxoindolin-3-yl)acetate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.210386688 u |
| Formula |
C25H30N2O6 |
| InChI |
InChI=1S/C25H30N2O6/c1-6-32-21(28)15-25(26-23(30)33-24(2,3)4)19-9-7-8-10-20(19)27(22(25)29)16-17-11-13-18(31-5)14-12-17/h7-14H,6,15-16H2,1-5H3,(H,26,30)/t25-/m0/s1 |
| InChIKey |
YXOKORAPVGBPMF-VWLOTQADSA-N |
| Instrument Name |
Finnigan SSQ7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201406422 |
| Molecular Weight |
454.523 g/mol |
| Optical Rotation |
[a]D25 = -25.0 (c = 0.6, CHCl3) |
| Quality |
42 |
| Reported Formula |
C25H30O6N2 |
| SMILES |
N([C@]1(C=2C=CC=CC2N(C1=O)CC1=CC=C(C=C1)OC)CC(OCC)=O)C(OC(C)(C)C)=O |
| SPLASH |
splash10-00dr-0908200000-1efb09ac8d0893d735ee |
| Sample Comments |
93% ee |
| Source of Spectrum |
QE-21-SM5-7d (DOI: 10.1002/chem.201406422) |
| Wiley ID |
1906337 |
