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CARBONYL-[2-5-ETA-(METHYL-(2E,4E)-HEXA-2,4-DIENOATE)]-(TRIETHOXYPHOSPHINE)-(TRIETHYLPHOSPHINE)-IRON;ISOMER-#1/2
SpectraBase Compound ID EiXLOMQXxVI
InChI InChI=1S/2C7H10O2.2C6H16O3P.2C6H15P.2CO.2Fe/c2*1-3-4-5-6-7(8)9-2;2*1-4-7-10(8-5-2)9-6-3;2*1-4-7(5-2)6-3;2*1-2;;/h2*3-6H,1-2H3;2*10H,4-6H2,1-3H3;2*4-6H2,1-3H3;;;;/q;;2*+1;;;;;2*-2/p+2
InChIKey CHGSBJWZSYZECZ-UHFFFAOYSA-P
Mol Weight 992.7 g/mol
Molecular Formula C40H84Fe2O12P4
Exact Mass 992.361198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7nNgswoRXj
Name CARBONYL-[2-5-ETA-(METHYL-(2E,4E)-HEXA-2,4-DIENOATE)]-(TRIETHOXYPHOSPHINE)-(TRIETHYLPHOSPHINE)-IRON;ISOMER-#1/2
Compound Number 66
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H80Fe2O12P4
InChI InChI=1S/2C7H10O2.2C6H16O3P.2C6H15P.2CO.2Fe/c2*1-3-4-5-6-7(8)9-2;2*1-4-7-10(8-5-2)9-6-3;2*1-4-7(5-2)6-3;2*1-2;;/h2*3-6H,1-2H3;2*10H,4-6H2,1-3H3;2*4-6H2,1-3H3;;;;/q;;2*+1;;;;;2*-2/p+2
InChIKey CHGSBJWZSYZECZ-UHFFFAOYSA-P
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 988.657 g/mol
Solvent ACETONE-D6
Source File Reference UWCS9437