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[PH-B(CH2-P-PH2)3]-FE-(HB-ET3)

View entire compound with spectra: 2 NMR

[PH-B(CH2-P-PH2)3]-FE-(HB-ET3)
SpectraBase Compound ID 5IfHxiwULq9
InChI InChI=1S/C45H41BP3.C6H15B.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;1-4-7(5-2)6-3;/h1-35H,36-38H2;4-6H2,1-3H3;/q-1;;-2/p+3
InChIKey CZNDKTVKMRFIHZ-UHFFFAOYSA-Q
Mol Weight 842.4 g/mol
Molecular Formula C51H59B2FeP3
Exact Mass 842.336509 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fqydwj3Ci2b
Name [PH-B(CH2-P-PH2)3]-FE-(HB-ET3)
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H56B2FeP3
InChI InChI=1S/C45H41BP3.C6H15B.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;1-4-7(5-2)6-3;/h1-35H,36-38H2;4-6H2,1-3H3;/q-1;;-2/p+3
InChIKey CZNDKTVKMRFIHZ-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 THF-D8
Source File Reference UWLU36561