1,1'-Dibenzoylferrocene(12180-80-2) IR1
Product Name1,1'-Dibenzoylferrocene
CAS12180-80-2
Molecular FormulaC24H18FeO210*
Molecular Weight394.24
InChIInChI=1S/2C12H9O.Fe/c2*13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;/h2*1-9H;
InChIKey HAAYOEOQZIDZLZ-UHFFFAOYSA-N
Smiles[C]1([CH][CH][CH][CH]1)C(=O)C1C=CC=CC=1.[C]1([CH][CH][CH][CH]1)C(=O)C1=CC=CC=C1.[Fe] |^1:0,1,2,3,4,13,14,15,16,17|
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Assign. Shift(ppm)
A 7.775 B 7.605 C 7.496 D 4.856 E 4.713 Assigned with HMQC and HMBC.Spectral Code: 1H NMR : in DMSO-d6
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ppm Int. Assign.
197.94 98 1 139.15 201 2 131.98 506 3 128.41 1000 4 * 128.18 884 5 * 79.62 183 6 74.79 713 7 # 73.26 744 8 #Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc
