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[PH-B(CH2-P-PH2)3]-FE-[(ETA)5-CYCLOHEXADIENYL]

View entire compound with spectra: 1 NMR

[PH-B(CH2-P-PH2)3]-FE-[(ETA)5-CYCLOHEXADIENYL]
SpectraBase Compound ID K1MYv4OMh19
InChI InChI=1S/C45H41BP3.C6H3.Fe/c1-8-22-39(23-9-1)46(36-47(40-24-10-2-11-25-40)41-26-12-3-13-27-41,37-48(42-28-14-4-15-29-42)43-30-16-5-17-31-43)38-49(44-32-18-6-19-33-44)45-34-20-7-21-35-45;1-2-4-6-5-3-1;/h1-35H,36-38H2;1H,2H2;/q-1;;-2/p+3
InChIKey KBUGQUYPYREHOV-UHFFFAOYSA-Q
Mol Weight 819.5 g/mol
Molecular Formula C51H47BFeP3
Exact Mass 819.233304 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KuG3aUpSKiG
Name [PH-B(CH2-P-PH2)3]-FE-[(ETA)5-CYCLOHEXADIENYL]
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H44BFeP3
InChI InChI=1S/C45H41BP3.C6H3.Fe/c1-8-22-39(23-9-1)46(36-47(40-24-10-2-11-25-40)41-26-12-3-13-27-41,37-48(42-28-14-4-15-29-42)43-30-16-5-17-31-43)38-49(44-32-18-6-19-33-44)45-34-20-7-21-35-45;1-2-4-6-5-3-1;/h1-35H,36-38H2;1H,2H2;/q-1;;-2/p+3
InChIKey KBUGQUYPYREHOV-UHFFFAOYSA-Q
Literature Reference Author S.D.BROWN,J.C.PETERS
Literature Reference Citation J.AM.CHEM.SOC.,126,4538(2004)
Literature Reference DOI 10.1021/ja0399122
Solvent C6D6
Source File Reference UWLU36560