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[FE-[(5-ETA-C5H4)-(1-ETA-C5H4)-P-MES]-[P(OME)3]];ORTHER-ISOMER

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[FE-[(5-ETA-C5H4)-(1-ETA-C5H4)-P-MES]-[P(OME)3]];ORTHER-ISOMER
SpectraBase Compound ID 9pYZyWCBd0V
InChI InChI=1S/C11H8O3PS.2C3H10O3P.Fe/c1-16(12,13)14-15(10-6-2-3-7-10)11-8-4-5-9-11;2*1-4-7(5-2)6-3;/h2,6,8H,3H2,1H3;2*7H,1-3H3;/q;2*+1;-2
InChIKey NWESNMGEIYJQHT-UHFFFAOYSA-N
Mol Weight 557.23 g/mol
Molecular Formula C17H28FeO9P3S
Exact Mass 557.001626 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4j2jzmK4j0U
Name [FE-[(5-ETA-C5H4)-(1-ETA-C5H4)-P-MES]-[P(OME)3]];ORTHER-ISOMER
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H26FeO9P3S
InChI InChI=1S/C11H8O3PS.2C3H10O3P.Fe/c1-16(12,13)14-15(10-6-2-3-7-10)11-8-4-5-9-11;2*1-4-7(5-2)6-3;/h2,6,8H,3H2,1H3;2*7H,1-3H3;/q;2*+1;-2
InChIKey NWESNMGEIYJQHT-UHFFFAOYSA-N
Literature Reference Author T.MIZUTA,Y.IMAMURA,K.MIYOSHI
Literature Reference Citation J.AM.CHEM.SOC.,125,2068(2003)
Literature Reference DOI 10.1021/ja029297m
Solvent CDCl3
Source File Reference UWLU40522