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(2S,4R)-4-Benzyl-2-Ferrocenyl-4-methyl-3-pivaloyl-1,3-oxazolidin-5-one
SpectraBase Compound ID 8zg65rOBGzT
InChI InChI=1S/C21H24NO3.C5H5.Fe/c1-20(2,3)18(23)22-17(16-12-8-9-13-16)25-19(24)21(22,4)14-15-10-6-5-7-11-15;1-2-4-5-3-1;/h5-13,17H,14H2,1-4H3;1-5H;/t17-,21+;;/m0../s1
InChIKey LVFNUEVXVIRVGM-JYIONGFVSA-N
Mol Weight 459.37 g/mol
Molecular Formula C26H29FeNO3
Exact Mass 459.14968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LeSwVtMSUBY
Name (2S,4R)-4-Benzyl-2-Ferrocenyl-4-methyl-3-pivaloyl-1,3-oxazolidin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29FeNO3
InChI InChI=1S/C21H24NO3.C5H5.Fe/c1-20(2,3)18(23)22-17(16-12-8-9-13-16)25-19(24)21(22,4)14-15-10-6-5-7-11-15;1-2-4-5-3-1;/h5-13,17H,14H2,1-4H3;1-5H;/t17-,21+;;/m0../s1
InChIKey LVFNUEVXVIRVGM-JYIONGFVSA-N
Molecular Weight 459.367 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@@](Cc2ccccc2)(C)C(O1)=O)C(C(C)(C)C)=O)[H]
SPLASH splash10-03e9-0104900000-d5ebe011559a08ac0064
Source of Spectrum KC-0-260-7
Synonyms (2S,4R)-2-Ferrocenyl-3-pivaloyl-4-benzyl-4-methyl-1,3-oxazolidin-5-one (2S,4R)-4-benzyl-2-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexane]-2-yl}-4-methyl-3-pentanoyl-1,3-oxazolidin-5-one (2S,4R)-4-benzyl-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 824064