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TRANS-[FE-(DMPE)(2)-(C=C-C6H4OCH3)-(MIU(1)-C-(C6H5)=CH-(C=C-C6H4OCH3))]
SpectraBase Compound ID 5gXjdJvlYHC
InChI InChI=1S/C17H13O.C9H7O.2C6H16P2.Fe/c1-18-17-13-11-16(12-14-17)10-6-5-9-15-7-3-2-4-8-15;1-3-8-4-6-9(10-2)7-5-8;2*1-7(2)5-6-8(3)4;/h2-5,7-8,11-14H,1H3;4-7H,2H3;2*5-6H2,1-4H3;/q;;;;-4/p+4
InChIKey DNCMEKAOYVCSCR-UHFFFAOYSA-R
Mol Weight 724.6 g/mol
Molecular Formula C38H56FeO2P4
Exact Mass 724.258015 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Cu1Z38oRnp
Name TRANS-[FE-(DMPE)(2)-(C=C-C6H4OCH3)-(MIU(1)-C-(C6H5)=CH-(C=C-C6H4OCH3))]
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H52FeO2P4
InChI InChI=1S/C17H13O.C9H7O.2C6H16P2.Fe/c1-18-17-13-11-16(12-14-17)10-6-5-9-15-7-3-2-4-8-15;1-3-8-4-6-9(10-2)7-5-8;2*1-7(2)5-6-8(3)4;/h2-5,7-8,11-14H,1H3;4-7H,2H3;2*5-6H2,1-4H3;/q;;;;-4/p+4
InChIKey DNCMEKAOYVCSCR-UHFFFAOYSA-R
Literature Reference Author L.D.FIELD,A.J.TURNBULL,P.TURNER
Literature Reference Citation J.AM.CHEM.SOC.,124,3692(2002)
Literature Reference DOI 10.1021/ja011105k
Molecular Weight 720.572 g/mol
Sample ID 33647
Solvent THF-D8