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(2S,4R)-2-Ferrocenyl-3-pivaloyl-4-allyl-4-methyl-1,3-oxazolidin-5-one
SpectraBase Compound ID Aq3zSYQ88f0
InChI InChI=1S/C17H22NO3.C5H5.Fe/c1-6-11-17(5)15(20)21-13(12-9-7-8-10-12)18(17)14(19)16(2,3)4;1-2-4-5-3-1;/h6-10,13H,1,11H2,2-5H3;1-5H;/t13-,17+;;/m0../s1
InChIKey JFAFIGPDCFADBK-YUANJJMISA-N
Mol Weight 409.31 g/mol
Molecular Formula C22H27FeNO3
Exact Mass 409.13403 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C94h8DDegNm
Name (2S,4R)-2-Ferrocenyl-3-pivaloyl-4-allyl-4-methyl-1,3-oxazolidin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27FeNO3
InChI InChI=1S/C17H22NO3.C5H5.Fe/c1-6-11-17(5)15(20)21-13(12-9-7-8-10-12)18(17)14(19)16(2,3)4;1-2-4-5-3-1;/h6-10,13H,1,11H2,2-5H3;1-5H;/t13-,17+;;/m0../s1
InChIKey JFAFIGPDCFADBK-YUANJJMISA-N
Molecular Weight 409.307 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=C)(C)C(O1)=O)C(C(C)(C)C)=O)[H]
SPLASH splash10-0a4i-9530700000-a90013a1ed450f13bc8b
Source of Spectrum KC-0-260-7
Synonyms (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-4-(prop-2-en-1-yl)-1,3-oxazolidin-5-one
Wiley ID 824063