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Iron, tricarbonyl[methyl 3-(.eta.4-1,3-cyclobutadien-1-yl)-2-propynoate]-
SpectraBase Compound ID J6FpXPRuPqX
InChI InChI=1S/C8H6O2.3CO.Fe/c1-10-8(9)6-5-7-3-2-4-7;3*1-2;/h2-4H,1H3;;;;
InChIKey CCLNGDUCDDVSPS-UHFFFAOYSA-N
Mol Weight 274.01 g/mol
Molecular Formula C11H6FeO5
Exact Mass 273.956459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CN8F2Z2TCh9
Name Iron, tricarbonyl[methyl 3-(.eta.4-1,3-cyclobutadien-1-yl)-2-propynoate]-
Alternate Name(s) 2-Propynoic acid, 3-(1,3-cyclobutadien-1-yl)-, methyl ester, iron complex Methyl 3-[1,1,1-tris(hydroxymethyl)-1-ferratetracyclo[2.1.0.0(1,3).0(2,5)]pentan-2-yl]prop-2-ynoate Tricarbonyl(methyl3-(.eta.-Cyclobutadienyl)propynoate)iron
CAS Registry Number 62011-73-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H6FeO5
InChI InChI=1S/C8H6O2.3CO.Fe/c1-10-8(9)6-5-7-3-2-4-7;3*1-2;/h2-4H,1H3;;;;
InChIKey CCLNGDUCDDVSPS-UHFFFAOYSA-N
Molecular Weight 274.009 g/mol
SMILES [C@]12([Fe]34([C@@]2([C@@]4([C@@]13[H])[H])[H])(C#[O])(C#[O])C#[O])C#CC(=O)OC
SPLASH splash10-03kc-9610000000-9aed0063a0331b32a8e0
Source of Spectrum B-29-2552-0
Wiley ID 1277646