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(2S,4S)-2-Ferrocenyl-4-methyl-3-pivaloyl-1,3-oxazolidin-5-one
SpectraBase Compound ID KqlfTYCWTlu
InChI InChI=1S/C14H18NO3.C5H5.Fe/c1-9-12(16)18-11(10-7-5-6-8-10)15(9)13(17)14(2,3)4;1-2-4-5-3-1;/h5-9,11H,1-4H3;1-5H;/t9-,11-;;/m0../s1
InChIKey WYGLGPBZGGJRNA-NZHTYBOASA-N
Mol Weight 369.24 g/mol
Molecular Formula C19H23FeNO3
Exact Mass 369.10273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ynEblVsCkn
Name (2S,4S)-2-Ferrocenyl-4-methyl-3-pivaloyl-1,3-oxazolidin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23FeNO3
InChI InChI=1S/C14H18NO3.C5H5.Fe/c1-9-12(16)18-11(10-7-5-6-8-10)15(9)13(17)14(2,3)4;1-2-4-5-3-1;/h5-9,11H,1-4H3;1-5H;/t9-,11-;;/m0../s1
InChIKey WYGLGPBZGGJRNA-NZHTYBOASA-N
Molecular Weight 369.242 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(C(C)(C)C)=O)[C@](C)([H])C(O1)=O)[H]
SPLASH splash10-0a4i-9032000000-2ba9a73b1bc80ceb6589
Source of Spectrum KC-0-260-5
Synonyms (2S,4S)-2-Ferrocenyl-3-pivaloyl-4-methyl-1,3-oxazolidin-5-one (2S,4S)-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-1,3-oxazolidin-5-one
Wiley ID 824065