1,2,3,4-tetrakis[(2'-Phenyl)ethyn-1'-yl]-(tricarbonyl iron)cyclobutadiene

SpectraBase Compound ID	2cWw4l7g17t
InChI	InChI=1S/C36H20.3CO.Fe/c1-5-13-29(14-6-1)21-25-33-34(26-22-30-15-7-2-8-16-30)36(28-24-32-19-11-4-12-20-32)35(33)27-23-31-17-9-3-10-18-31;3*1-2;/h1-20H;;;;
InChIKey	WIWSKBYBXUDXJN-UHFFFAOYSA-N Google Search
Mol Weight	592.4 g/mol
Molecular Formula	C39H20FeO3
Exact Mass	592.076181 g/mol

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SpectraBase Spectrum ID	4JHOI06Kv9e
Name	1,2,3,4-tetrakis[(2'-Phenyl)ethyn-1'-yl]-(tricarbonyl iron)cyclobutadiene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C39H20FeO3
InChI	InChI=1S/C36H20.3CO.Fe/c1-5-13-29(14-6-1)21-25-33-34(26-22-30-15-7-2-8-16-30)36(28-24-32-19-11-4-12-20-32)35(33)27-23-31-17-9-3-10-18-31;3*1-2;/h1-20H;;;;
InChIKey	WIWSKBYBXUDXJN-UHFFFAOYSA-N
Molecular Weight	592.431 g/mol
SMILES	[C@]12([Fe]34([C@@]2(C#Cc2ccccc2)[C@]3(C#Cc2ccccc2)[C@]14C#Cc1ccccc1)(C#[O])(C#[O])C#[O])C#Cc1ccccc1
SPLASH	splash10-004i-0090070000-42bcafd95f546db4746f
Source of Spectrum	K-129-796-26
Synonyms	1,1,1-tris(hydroxymethyl)-2,3,4,5-tetrakis(2-phenylethynyl)-1-ferratetracyclo[2.1.0.0(1,3).0(2,5)]pentane
Wiley ID	1409540