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TRICARBONYL-[1,4-ETA-(1,3,EXO-5-TRIMETHYL-1,3-CYCLOHEXADIENE)]-IRON
SpectraBase Compound ID 5YXGsvgVYXA
InChI InChI=1S/C9H14.3CO.Fe/c1-7-4-8(2)6-9(3)5-7;3*1-2;/h4-5,8H,6H2,1-3H3;;;;/t8-;;;;/m0..../s1
InChIKey RHKQXDNAEHDZLF-USHJOAKVSA-N
Mol Weight 262.09 g/mol
Molecular Formula C12H14FeO3
Exact Mass 262.02923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 25l3PF5DVc6
Name TRICARBONYL-[1,4-ETA-(1,3,EXO-5-TRIMETHYL-1,3-CYCLOHEXADIENE)]-IRON
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14FeO3
InChI InChI=1S/C9H14.3CO.Fe/c1-7-4-8(2)6-9(3)5-7;3*1-2;/h4-5,8H,6H2,1-3H3;;;;/t8-;;;;/m0..../s1
InChIKey RHKQXDNAEHDZLF-USHJOAKVSA-N
Literature Reference Author P.EILBRACHT,C.HITTINGER,K.KUFFERATH
Literature Reference Citation CHEM.BER.,123,1071(1990)
Literature Reference DOI 10.1002/cber.19901230521
Molecular Weight 262.088 g/mol
Solvent C6D6
Source File Reference UWCS13507