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(2S,5R,6S)-(2E,4E)-TRICARBONYL-[2-5-ETA-11-CHLORO-6-METHYL-2,4-UNDECADIEN-6-OL]-IRON
SpectraBase Compound ID 3dhctUFsID
InChI InChI=1S/C12H17ClO.3CO.Fe/c1-3-4-6-9-12(2,14)10-7-5-8-11-13;3*1-2;/h14H,5,7-8,10-11H2,1-2H3;;;;/t12-;;;;/m1..../s1
InChIKey WLCAUQNKNBZKOY-HHUWXINPSA-N
Mol Weight 352.6 g/mol
Molecular Formula C15H17ClFeO4
Exact Mass 352.016473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lgo03rUs7IC
Name (2S,5R,6S)-(2E,4E)-TRICARBONYL-[2-5-ETA-11-CHLORO-6-METHYL-2,4-UNDECADIEN-6-OL]-IRON
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H17ClFeO4
InChI InChI=1S/C12H17ClO.3CO.Fe/c1-3-4-6-9-12(2,14)10-7-5-8-11-13;3*1-2;/h14H,5,7-8,10-11H2,1-2H3;;;;/t12-;;;;/m1..../s1
InChIKey WLCAUQNKNBZKOY-HHUWXINPSA-N
Literature Reference Author Y.TAKEMOTO,J.TAKEUCHI,K.I.MORIO,T.NAKAMOTO,C.IWATA
Literature Reference Citation CHEM.PHARM.BULL.,44,940(1996)
Literature Reference DOI 10.1248/cpb.44.940
Molecular Weight 352.598 g/mol
Solvent CDCl3
Source File Reference UWLU31354