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Dicarbonyl(.eta.(5)-cyclopentadienyl)(.eta.(1)-4,5,5-trimethoxycarbonyl-2-oxopentyl)iron
SpectraBase Compound ID 91jWr0hWGd1
InChI InChI=1S/C11H15O7.C5H5.2CO.Fe/c1-7(12)5-11(9(14)17-3,10(15)18-4)6-8(13)16-2;1-2-4-5-3-1;2*1-2;/h1,5-6H2,2-4H3;1-5H;;;
InChIKey CEHGHCFKZNZVHX-UHFFFAOYSA-N
Mol Weight 436.19 g/mol
Molecular Formula C18H20FeO9
Exact Mass 436.045668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8veJF2XFB9r
Name Dicarbonyl(.eta.(5)-cyclopentadienyl)(.eta.(1)-4,5,5-trimethoxycarbonyl-2-oxopentyl)iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20FeO9
InChI InChI=1S/C11H15O7.C5H5.2CO.Fe/c1-7(12)5-11(9(14)17-3,10(15)18-4)6-8(13)16-2;1-2-4-5-3-1;2*1-2;/h1,5-6H2,2-4H3;1-5H;;;
InChIKey CEHGHCFKZNZVHX-UHFFFAOYSA-N
Molecular Weight 436.194 g/mol
SMILES [C@]12([Fe]345([C@]2([C@@]5([C@@]4([C@]13[H])[H])[H])[H])(C#[O])(C#[O])CC(CC(C(=O)OC)(C(=O)OC)CC(=O)OC)=O)[H]
SPLASH splash10-006t-1907000000-aefe62f30a3e98df8149
Source of Spectrum KC-1982-304-0
Synonyms 1,1,2-trimethyl 1-{3-[1,1-bis(hydroxymethyl)-1-ferrapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexan-1-yl]-2-oxopropyl}ethane-1,1,2-tricarboxylate
Wiley ID 1383373