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Iron, [3,3-bis(ethoxycarbonyl)cyclopentyl]dicarbonyl(.eta.5-2,4,6-cyclopent adien-1-yl)-
SpectraBase Compound ID 98ErgkX6vZq
InChI InChI=1S/C11H17O4.C5H5.2CO.Fe/c1-3-14-9(12)11(7-5-6-8-11)10(13)15-4-2;1-2-4-5-3-1;2*1-2;/h5H,3-4,6-8H2,1-2H3;1-5H;;;
InChIKey FUSHYAKTFHINEB-UHFFFAOYSA-N
Mol Weight 390.21 g/mol
Molecular Formula C18H22FeO6
Exact Mass 390.076574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlfVNPjN84x
Name Iron, [3,3-bis(ethoxycarbonyl)cyclopentyl]dicarbonyl(.eta.5-2,4,6-cyclopent adien-1-yl)-
Alternate Name(s) 1,1-Cyclopentanedicarboxylic acid, diethyl ester, iron complex 1,1-Diethyl 3-[1,1-bis(hydroxymethyl)-1-ferrapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexan-1-yl]cyclopentane-1,1-dicarboxylate 3,3-bis(ethoxycarbonyl)-1-[(dicarbonyl)(cyclopentadienyl)iron]cyclopentane
CAS Registry Number 73848-44-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22FeO6
InChI InChI=1S/C11H17O4.C5H5.2CO.Fe/c1-3-14-9(12)11(7-5-6-8-11)10(13)15-4-2;1-2-4-5-3-1;2*1-2;/h5H,3-4,6-8H2,1-2H3;1-5H;;;
InChIKey FUSHYAKTFHINEB-UHFFFAOYSA-N
Molecular Weight 390.213 g/mol
SMILES [C@]12([Fe]345([C@]2([C@@]5([C@@]4([C@]13[H])[H])[H])[H])(C1CC(C(=O)OCC)(C(=O)OCC)CC1)(C#[O])C#[O])[H]
SPLASH splash10-00xr-9822000000-9b9b7c7d7daba034beb2
Source of Spectrum KC-1982-287-0
Wiley ID 1364637