SpectraBase Spectrum ID |
3x97BTWXiQf |
Name |
(Z/E)-N-[3-(4-Bromo-phenyl)-2-fluoro-2-propenyl]-aspartic acid di-tert-butyl ester |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H29BrFNO4 |
InChI |
InChI=1S/C21H29BrFNO4/c1-20(2,3)27-18(25)12-17(19(26)28-21(4,5)6)24-13-16(23)11-14-7-9-15(22)10-8-14/h7-11,17,24H,12-13H2,1-6H3/b16-11-/t17-/m0/s1 |
InChIKey |
IQJKUSSUCJDCRI-NIFLVVHWSA-N |
Molecular Weight |
458.368 g/mol |
SMILES |
N([C@@](CC(OC(C)(C)C)=O)(C(OC(C)(C)C)=O)[H])C\C(=C\c1ccc(cc1)Br)F |
SPLASH |
splash10-114j-0002900000-5aa631dd7874cd49a4a9 |
Source of Spectrum |
F-67-1402-5c |
Wiley ID |
1685778 |