| SpectraBase Spectrum ID |
DhhOoOfUaTX |
| Name |
(2S,4R)-2-Ferrocenyl-3-pivaloyl-4-cyanomethyl-4-methyl-1,3-oxazolidin-5-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24FeN2O3 |
| InChI |
InChI=1S/C16H19N2O3.C5H5.Fe/c1-15(2,3)13(19)18-12(11-7-5-6-8-11)21-14(20)16(18,4)9-10-17;1-2-4-5-3-1;/h5-8,12H,9H2,1-4H3;1-5H;/t12-,16+;;/m0../s1 |
| InChIKey |
IYTZABBJJHHRGF-GWPSCLBYSA-N |
| Molecular Weight |
408.279 g/mol |
| SMILES |
C12([Fe]3456789([C@@]2([C@]5([C@]4([C@@]13[H])[H])[H])[H])[C@]1([C@@]6([C@@]7([C@@]8([C@@]91[H])[H])[H])[H])[H])[C@]1(N([C@@](CC#N)(C)C(O1)=O)C(C(C)(C)C)=O)[H] |
| SPLASH |
splash10-0a4i-9330100000-28d36a4f20f932211efe |
| Source of Spectrum |
KC-0-261-7 |
| Synonyms |
2-[(2S,4R)-3-(2,2-dimethylpropanoyl)-2-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexane]-2-yl}-4-methyl-5-oxo-1,3-oxazolidin-4-yl]acetonitrile |
| Wiley ID |
824062 |
