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CARBONYL-[2-5-ETA-(METHYL-(2E,4E)-HEXA-2,4-DIENOATE)]-(TRIETHOXYPHOSPHINE)-(TRIMETHOXYPHOSPHINE)-IRON;ISOMER-#1
SpectraBase Compound ID 4MphmlCKDrB
InChI InChI=1S/C7H10O2.C6H16O3P.C3H10O3P.CO.Fe/c1-3-4-5-6-7(8)9-2;1-4-7-10(8-5-2)9-6-3;1-4-7(5-2)6-3;1-2;/h3-6H,1-2H3;10H,4-6H2,1-3H3;7H,1-3H3;;/q;2*+1;;-2
InChIKey VTDKDCCPROPXCI-UHFFFAOYSA-N
Mol Weight 502.3 g/mol
Molecular Formula C17H36FeO9P2
Exact Mass 502.118393 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Y0Z0jL61w8
Name CARBONYL-[2-5-ETA-(METHYL-(2E,4E)-HEXA-2,4-DIENOATE)]-(TRIETHOXYPHOSPHINE)-(TRIMETHOXYPHOSPHINE)-IRON;ISOMER-#2
Compound Number 67
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H34FeO9P2
InChI InChI=1S/C7H10O2.C6H16O3P.C3H10O3P.CO.Fe/c1-3-4-5-6-7(8)9-2;1-4-7-10(8-5-2)9-6-3;1-4-7(5-2)6-3;1-2;/h3-6H,1-2H3;10H,4-6H2,1-3H3;7H,1-3H3;;/q;2*+1;;-2
InChIKey VTDKDCCPROPXCI-UHFFFAOYSA-N
Literature Reference Author C.M.ADAMS,A.HAFNER,M.KOLLER,A.MARCUZZI,R.PREWO,I.SOLANA,B.VI NCENT,W.VONPHILIPSBO
Literature Reference Citation HELV.CHIM.ACTA,72,1658(1989)
Literature Reference DOI 10.1002/hlca.19890720803
Solvent ACETONE-D6
Source File Reference UWCS9439