Iron, dicarbonyl(.eta.5-2,4-cyclopentadien-1-yl)[3,4-dicyano-3-(ethoxycarbonyl)cyclopentyl]-, stereoisomer

SpectraBase Compound ID	LgNCV6xprcf
InChI	InChI=1S/C10H11N2O2.C5H5.2CO.Fe/c1-2-14-9(13)10(7-12)5-3-4-8(10)6-11;1-2-4-5-3-1;2*1-2;/h3,8H,2,4-5H2,1H3;1-5H;;;
InChIKey	SWOMIRCPEDEPJF-UHFFFAOYSA-N Google Search
Mol Weight	368.17 g/mol
Molecular Formula	C17H16FeN2O4
Exact Mass	368.045943 g/mol

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SpectraBase Spectrum ID	2QSS6HpW25o
Name	Iron, dicarbonyl(.eta.5-2,4-cyclopentadien-1-yl)[3,4-dicyano-3-(ethoxycarbonyl)cyclopentyl]-, stereoisomer
CAS Registry Number	82228-35-1
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)10(7-12)5-3-4-8(10)6-11;1-2-4-5-3-1;2*1-2;/h3,8H,2,4-5H2,1H3;1-5H;;;
InChIKey	SWOMIRCPEDEPJF-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#N)C(C1)C#N)(C#[O])C#[O])[H]
SPLASH	splash10-00xu-9510000000-3129bf1b1eb5e960366d
Source of Spectrum	KC-1982-287-0
Synonyms	3,4-Dicyano-3-(ethoxycarbonyl)-1-[(dicarbonyl)(cyclopentadienyl)iron]cyclopentane (mixture of isomers) Cyclopentanecarboxylic acid, 1,2-dicyano-, ethyl ester, iron complex, trans- Ethyl 4-[1,1-bis(hydroxymethyl)-1-ferrapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexan-1-yl]-1,2-dicyanocyclopentane-1-carboxylate
Wiley ID	1352835