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(S)-2-Methyl(methoxycarbonyl)ferrocene
SpectraBase Compound ID 3VLMDn7kWUU
InChI InChI=1S/C8H9O2.C5H5.Fe/c1-6-4-3-5-7(6)8(9)10-2;1-2-4-5-3-1;/h3-5H,1-2H3;1-5H;/q2*-1;+2
InChIKey GGVROFRQVRLTTR-UHFFFAOYSA-N
Mol Weight 258.1 g/mol
Molecular Formula C13H14FeO2
Exact Mass 258.034316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTNhOCqfZoG
Name (S)-2-Methyl(methoxycarbonyl)ferrocene
Alternate Name(s) Iron(II) 2-(methoxycarbonyl)-3-methylcyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
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Formula C13H14FeO2
InChI InChI=1S/C8H9O2.C5H5.Fe/c1-6-4-3-5-7(6)8(9)10-2;1-2-4-5-3-1;/h3-5H,1-2H3;1-5H;/q2*-1;+2
InChIKey GGVROFRQVRLTTR-UHFFFAOYSA-N
Molecular Weight 258.098 g/mol
SMILES [cH-]1ccc(c1C(=O)OC)C.[Fe+2].[cH-]1cccc1
SPLASH splash10-0a4i-9200000000-1cea7c79f8da271d3f4b
Source of Spectrum ASC-345-377-9a
Wiley ID 1767395