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1,4-BIS(TRIPHENYLPHOSPHONIO)-2-BENZYLAMINOBUT-1-ENE DIIODIDE
SpectraBase Compound ID BpOIDPoOsff
InChI InChI=1S/C47H43NP2.2HI/c1-8-22-40(23-9-1)38-48-41(39-50(45-30-16-5-17-31-45,46-32-18-6-19-33-46)47-34-20-7-21-35-47)36-37-49(42-24-10-2-11-25-42,43-26-12-3-13-27-43)44-28-14-4-15-29-44;;/h1-35,39,48H,36-38H2;2*1H/q+2;;/p-2/b41-39-;;
InChIKey RLEHHDUAKICQGP-HBXZIWIUSA-L
Mol Weight 937.62447 g/mol
Molecular Formula C47H43I2NP2
Exact Mass 937.096014 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID YO6PfPCSpp
Name 1,4-BIS(TRIPHENYLPHOSPHONIO)-2-BENZYLAMINOBUT-1-ENE DIIODIDE
Comments , J(C-P) FOR AMBIGIOUSLY ASSIGNED PEAKS IN 13C SPECTRA: 116.7(J=85.4);
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C47H43I2NP2
InChI InChI=1S/C47H43NP2.2HI/c1-8-22-40(23-9-1)38-48-41(39-50(45-30-16-5-17-31-45,46-32-18-6-19-33-46)47-34-20-7-21-35-47)36-37-49(42-24-10-2-11-25-42,43-26-12-3-13-27-43)44-28-14-4-15-29-44;;/h1-35,39,48H,36-38H2;2*1H/q+2;;/p-2/b41-39-;;
InChIKey RLEHHDUAKICQGP-HBXZIWIUSA-L
Instrument Name Bruker WP-80
Literature Reference FRANCOISE PLENAT, AHMED BENNAMARA, LAURENT CHICHE, HENRI CHRISTOL (1986)Phosphorus and Sulfur: v.26, N1, 39-51.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CHCl3 chloroform