| SpectraBase Spectrum ID |
B2iHpTil840 |
| Name |
(S)-Ethyl 2-(3-((tert-butoxycarbonyl)amino)-1-methyl-2-oxo-5-(trifluoromethoxy)indolin-3-yl)acetate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.150820952 u |
| Formula |
C19H23F3N2O6 |
| InChI |
InChI=1S/C19H23F3N2O6/c1-6-28-14(25)10-18(23-16(27)30-17(2,3)4)12-9-11(29-19(20,21)22)7-8-13(12)24(5)15(18)26/h7-9H,6,10H2,1-5H3,(H,23,27)/t18-/m0/s1 |
| InChIKey |
USKKZUMMCBJGBV-SFHVURJKSA-N |
| Instrument Name |
Finnigan SSQ7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201406422 |
| Molecular Weight |
432.396 g/mol |
| Optical Rotation |
[a]D25 = -46.0 (c = 1.0, CHCl3) |
| Reported Formula |
C19H23O6N2F3 |
| SMILES |
N([C@]1(C=2C=C(C=CC2N(C1=O)C)OC(F)(F)F)CC(OCC)=O)C(OC(C)(C)C)=O |
| SPLASH |
splash10-001i-0024900000-01434884ae9b7cde0a1b |
| Sample Comments |
92% ee |
| Source of Spectrum |
QE-21-SM7-7i (DOI: 10.1002/chem.201406422) |
| Wiley ID |
1906341 |
