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CARBONYL-[1-4-ETA-(2-METHYLBUTA-1,3-DIENE)]-(TRIETHOXYPHOSPHINE)-(TRIMETHOXYPHOSPHINE)-IRON;ISOMER-#1/2
SpectraBase Compound ID BfhBLMZAKiR
InChI InChI=1S/2C6H16O3P.2C5H8.2C3H10O3P.2CO.2Fe/c2*1-4-7-10(8-5-2)9-6-3;2*1-4-5(2)3;2*1-4-7(5-2)6-3;2*1-2;;/h2*10H,4-6H2,1-3H3;2*4H,1-2H2,3H3;2*7H,1-3H3;;;;/q2*+1;;;2*+1;;;2*-2
InChIKey HJFJZFZHRCUEFP-UHFFFAOYSA-N
Mol Weight 888.4 g/mol
Molecular Formula C30H68Fe2O14P4
Exact Mass 888.225827 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G2hQyE6gidF
Name CARBONYL-[1-4-ETA-(2-METHYLBUTA-1,3-DIENE)]-(TRIETHOXYPHOSPHINE)-(TRIMETHOXYPHOSPHINE)-IRON;ISOMER-#1/2
Compound Number 57
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H64Fe2O14P4
InChI InChI=1S/2C6H16O3P.2C5H8.2C3H10O3P.2CO.2Fe/c2*1-4-7-10(8-5-2)9-6-3;2*1-4-5(2)3;2*1-4-7(5-2)6-3;2*1-2;;/h2*10H,4-6H2,1-3H3;2*4H,1-2H2,3H3;2*7H,1-3H3;;;;/q2*+1;;;2*+1;;;2*-2
InChIKey HJFJZFZHRCUEFP-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
Molecular Weight 884.419 g/mol
Solvent ACETONE-D6
Source File Reference UWCS9426