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Ferrocene, 1,1''-(1-methyl-3-oxo-1,3-propanediyl)bis-
SpectraBase Compound ID 9miRdHHNKuO
InChI InChI=1S/C14H14O.2C5H5.2Fe/c1-11(12-6-2-3-7-12)10-14(15)13-8-4-5-9-13;2*1-2-4-5-3-1;;/h2-9,11H,10H2,1H3;2*1-5H;;
InChIKey XTPRPSZKCCHIGR-UHFFFAOYSA-N
Mol Weight 440.15 g/mol
Molecular Formula C24H24Fe2O
Exact Mass 440.052587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10jpDxYp78t
Name Ferrocene, 1,1''-(1-methyl-3-oxo-1,3-propanediyl)bis-
Alternate Name(s) 1,3-Diferrocenyl-1,3-butadiene 1-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexane]-2-yl}-3-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexane]-6-yl}butan-1-one Ferrocene, 1,1''-(1-methyl-3-oxo-1,3-propanediyl)bis-
CAS Registry Number 55664-24-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24Fe2O
InChI InChI=1S/C14H14O.2C5H5.2Fe/c1-11(12-6-2-3-7-12)10-14(15)13-8-4-5-9-13;2*1-2-4-5-3-1;;/h2-9,11H,10H2,1H3;2*1-5H;;
InChIKey XTPRPSZKCCHIGR-UHFFFAOYSA-N
Molecular Weight 440.145 g/mol
SMILES C12([Fe]3456789(C1C4C9C23)C1C5C6C7C81)C(CC(C12[Fe]3456789(C%10C8C7C5C3%10)C1C6C9C24)C)=O
SPLASH splash10-0006-0020900000-031f8bc74260b2ddcfae
Source of Spectrum AH-112-101-0
Wiley ID 1384650