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Iron, tricarbonyl[1,1',1'',1'''-(.eta.4-1,3-cyclobutadiene-1,2,3,4-tetrayl)tetrakis[benzene]]-
SpectraBase Compound ID 607eZY6SGfK
InChI InChI=1S/C28H20.3CO.Fe/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)27(25)23-17-9-3-10-18-23;3*1-2;/h1-20H;;;;/q-4;;;;
InChIKey VJPGXIRRJVWIHN-UHFFFAOYSA-N
Mol Weight 496.343 g/mol
Molecular Formula C31H20FeO3
Exact Mass 496.076181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XIDgaVbtlk
Name Iron, tricarbonyl[1,1',1'',1'''-(.eta.4-1,3-cyclobutadiene-1,2,3,4-tetrayl)tetrakis[benzene]]-
CAS Registry Number 31811-56-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H20FeO3
InChI InChI=1S/C28H20.3CO.Fe/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)27(25)23-17-9-3-10-18-23;3*1-2;/h1-20H;;;;/q-4;;;;
InChIKey VJPGXIRRJVWIHN-UHFFFAOYSA-N
Molecular Weight 496.343 g/mol
SMILES c1ccc(cc1)[C-]1[C-]([C-]([C-]1c1ccccc1)c1ccccc1)c1ccccc1.[Fe].[C-]#[O+].[C-]#[O+].[C-]#[O+]
SPLASH splash10-08gi-1260900000-d8d9a2e484c77c3445cb
Source of Spectrum O3-0-1233-0
Synonyms 1,2,3,4-tetraphenylcyclobutane-1,2,3,4-tetraide tris(methanidylidyneoxidanium) iron Iron, tricarbonyl(1,2,3,4-tetraphenyl-1,3-cyclobutadiene)- Iron, tricarbonyl[1,1',1'',1'''-(.eta.4-1,3-cyclobutadiene-1,2,3,4-tetrayl)tetrakis[benzene]]- Iron, tricarbonyl[1,1',1'',1'''-(eta4-1,3-cyclobutadiene-1,2,3,4-tetrayl)tetrakis[benzene]]- Tetraphenylcyclobutadiene-iron-tricarbonyl Tricarbonyl(tetraphenylcyclobutadiene)iron Tricarbonyl(tetraphenylcyclobutadienyl)iron
Wiley ID 1398311