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(2S,4R)-2-Ferrocenyl-3-pivaloyl-4-allyl-4-methyl-1,3-oxazolidin-5-one
SpectraBase Compound ID BPcQHrtjU31
InChI InChI=1S/C17H22NO3.C5H5.Fe/c1-5-10-17(4)15(20)21-12-18(17)14(19)16(2,3)11-13-8-6-7-9-13;1-2-4-5-3-1;/h5-9H,1,10-12H2,2-4H3;1-5H;
InChIKey URBLKNMTJHMGDP-UHFFFAOYSA-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 53vrrgwak6b
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/c1-5-10-17(4)15(20)21-12-18(17)14(19)16(2,3)11-13-8-6-7-9-13;1-2-4-5-3-1;/h5-9H,1,10-12H2,2-4H3;1-5H;
InChIKey URBLKNMTJHMGDP-UHFFFAOYSA-N
Molecular Weight 409.307 g/mol
SMILES [C@]12([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])CC(C(N1C(C(=O)OC1)(CC=C)C)=O)(C)C
SPLASH splash10-0a4i-9530700000-a90013a1ed450f13bc8b
Source of Spectrum F5-7-531-(2S,4R)-2
Wiley ID 1696401