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Iron, (4-bromo-1,3-butadienyl)dicarbonyl(.eta.5-2,4-cyclopentadien-1-yl)-, stereoisomer
SpectraBase Compound ID Hlb9EDeJ6TX
InChI InChI=1S/C5H5.C4H4Br.2CO.Fe/c1-2-4-5-3-1;5-4-2-1-3-4;2*1-2;/h1-5H;2-3H,1H2;;;
InChIKey UTHQVLPCHNFMHQ-UHFFFAOYSA-N
Mol Weight 308.94 g/mol
Molecular Formula C11H9BrFeO2
Exact Mass 307.913529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPk2JBYR0UZ
Name Iron, (4-bromo-1,3-butadienyl)dicarbonyl(.eta.5-2,4-cyclopentadien-1-yl)-, stereoisomer
Alternate Name(s) 1,3-Butadiene, 1-bromo-, iron complex, (Z)- 1-(2-bromocyclobut-2-en-1-yl)-1,1-bis(hydroxymethyl)-1-ferrapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexane Dicarbonyl-.eta.(5)-cyclopentadienyl-.eta.(1)-(4-bromo-1,3-butadien-1-yl)iron(II)
CAS Registry Number 109010-95-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9BrFeO2
InChI InChI=1S/C5H5.C4H4Br.2CO.Fe/c1-2-4-5-3-1;5-4-2-1-3-4;2*1-2;/h1-5H;2-3H,1H2;;;
InChIKey UTHQVLPCHNFMHQ-UHFFFAOYSA-N
Molecular Weight 308.940 g/mol
SMILES [C@]12([Fe]345([C@]2([C@@]5([C@@]4([C@]13[H])[H])[H])[H])(C1C(Br)=CC1)(C#[O])C#[O])[H]
SPLASH splash10-0fk9-0950000000-b5809ef5f959c57e46b2
Source of Spectrum O-21-372-5
Wiley ID 1309320