| SpectraBase Spectrum ID |
5WdQuEioMcS |
| Name |
(S)-Ethyl 2-(3-((tert-butoxycarbonyl)amino)-5-chloro-1-methyl-2-oxoindolin-3-yl)acetate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.129549544 u |
| Formula |
C18H23ClN2O5 |
| InChI |
InChI=1S/C18H23ClN2O5/c1-6-25-14(22)10-18(20-16(24)26-17(2,3)4)12-9-11(19)7-8-13(12)21(5)15(18)23/h7-9H,6,10H2,1-5H3,(H,20,24)/t18-/m0/s1 |
| InChIKey |
OYXHKRLJDQQKFQ-SFHVURJKSA-N |
| Instrument Name |
Finnigan SSQ7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201406422 |
| Molecular Weight |
382.844 g/mol |
| Optical Rotation |
[a]D25 = -41.0 (c = 1.0, CHCl3) |
| Reported Formula |
C18H23O5N2Cl |
| SMILES |
N([C@]1(C=2C=C(C=CC2N(C1=O)C)Cl)CC(OCC)=O)C(OC(C)(C)C)=O |
| SPLASH |
splash10-001j-0409000000-a424677f384219030dac |
| Sample Comments |
92% ee |
| Source of Spectrum |
QE-21-SM8-7j (DOI: 10.1002/chem.201406422) |
| Wiley ID |
1906342 |
