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Iron, dicarbonyl(.eta.5-2,4-cyclopentadien-1-yl)[3,3-dicyano-4-(ethoxycarbonyl)cyclopentyl]-, stereoisomer
SpectraBase Compound ID I31n6gEJE4e
InChI InChI=1S/C10H11N2O2.C5H5.2CO.Fe/c1-2-14-9(13)8-4-3-5-10(8,6-11)7-12;1-2-4-5-3-1;2*1-2;/h3,8H,2,4-5H2,1H3;1-5H;;;
InChIKey BZMWVMTUBQHRFT-UHFFFAOYSA-N
Mol Weight 368.17 g/mol
Molecular Formula C17H16FeN2O4
Exact Mass 368.045943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2K0n33jQZIk
Name Iron, dicarbonyl(.eta.5-2,4-cyclopentadien-1-yl)[3,3-dicyano-4-(ethoxycarbonyl)cyclopentyl]-, stereoisomer
Alternate Name(s) 3,3-Dicyano-1-[(dicarbonyl)(cyclopentadienyl)iron]cyclopentane Cyclopentanecarboxylic acid, 2,2-dicyano-, ethyl ester, iron complex Ethyl 4-[1,1-bis(hydroxymethyl)-1-ferrapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexan-1-yl]-2,2-dicyanocyclopentane-1-carboxylate
CAS Registry Number 82227-95-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16FeN2O4
InChI InChI=1S/C10H11N2O2.C5H5.2CO.Fe/c1-2-14-9(13)8-4-3-5-10(8,6-11)7-12;1-2-4-5-3-1;2*1-2;/h3,8H,2,4-5H2,1H3;1-5H;;;
InChIKey BZMWVMTUBQHRFT-UHFFFAOYSA-N
Molecular Weight 368.170 g/mol
SMILES [C@]12([Fe]345([C@]2([C@@]5([C@@]4([C@]13[H])[H])[H])[H])(C1CC(C(=O)OCC)C(C1)(C#N)C#N)(C#[O])C#[O])[H]
SPLASH splash10-02ft-0492000000-723647c0a4469d37f99b
Source of Spectrum KC-1982-287-0
Wiley ID 1352834