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1,2,3,4-tetrakis[(2'-t-Butyl)ethyn-1'-yl]-(tricarbonyl iron)cyclobutadiene
SpectraBase Compound ID 3C9ZVe2z0mW
InChI InChI=1S/C28H36.3CO.Fe/c1-25(2,3)17-13-21-22(14-18-26(4,5)6)24(16-20-28(10,11)12)23(21)15-19-27(7,8)9;3*1-2;/h1-12H3;;;;
InChIKey SNCSXDKOQJKPDL-UHFFFAOYSA-N
Mol Weight 512.5 g/mol
Molecular Formula C31H36FeO3
Exact Mass 512.201381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID UGf1ZHouYA
Name 1,2,3,4-tetrakis[(2'-t-Butyl)ethyn-1'-yl]-(tricarbonyl iron)cyclobutadiene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H36FeO3
InChI InChI=1S/C28H36.3CO.Fe/c1-25(2,3)17-13-21-22(14-18-26(4,5)6)24(16-20-28(10,11)12)23(21)15-19-27(7,8)9;3*1-2;/h1-12H3;;;;
InChIKey SNCSXDKOQJKPDL-UHFFFAOYSA-N
Molecular Weight 512.471 g/mol
SMILES [C@]12([Fe]34([C@@]2(C#CC(C)(C)C)[C@]4(C#CC(C)(C)C)[C@]13C#CC(C)(C)C)(C#[O])(C#[O])C#[O])C#CC(C)(C)C
SPLASH splash10-004i-0000900000-1084a2ed4ae792e55dc5
Source of Spectrum K-129-796-26
Synonyms 2,3,4,5-tetrakis(3,3-dimethylbut-1-yn-1-yl)-1,1,1-tris(hydroxymethyl)-1-ferratetracyclo[2.1.0.0(1,3).0(2,5)]pentane
Wiley ID 1400869