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TRICARBONYL-((6R)-1,3,4,5-ETA-[3-METHYL-ENDO-6-(1-METHYLETHYL)-2-OXA-4-CYCLOHEPTEN-1,3-DIYL])-IRON
SpectraBase Compound ID 6CRZvQFp1jX
InChI InChI=1S/C11H16O.3CO.Fe/c1-8(2)10-5-4-9(3)11(12)7-6-10;3*1-2;/h4-5,7-8,10H,6H2,1-3H3;;;;/t10-;;;;/m0..../s1
InChIKey NSAVCEADPDJEOL-CZEDPBFNSA-N
Mol Weight 304.12 g/mol
Molecular Formula C14H16FeO4
Exact Mass 304.039795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JwxmTVGh61W
Name TRICARBONYL-((6R)-1,3,4,5-ETA-[3-METHYL-ENDO-6-(1-METHYLETHYL)-2-OXA-4-CYCLOHEPTEN-1,3-DIYL])-IRON
CAS Registry Number 124988-76-7
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16FeO4
InChI InChI=1S/C11H16O.3CO.Fe/c1-8(2)10-5-4-9(3)11(12)7-6-10;3*1-2;/h4-5,7-8,10H,6H2,1-3H3;;;;/t10-;;;;/m0..../s1
InChIKey NSAVCEADPDJEOL-CZEDPBFNSA-N
Literature Reference Author P.EILBRACHT,C.HITTINGER,K.KUFFERATH,G.HENKEL
Literature Reference Citation CHEM.BER.,123,1079(1990)
Literature Reference DOI 10.1002/cber.19901230522
Molecular Weight 304.126 g/mol
Solvent CDCl3
Source File Reference UWCS12624