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1,4-BIS(TRIPHENYLPHOSPHONIO)-2-ORTHO-AMINOPHENYLTHIOBUT-2-ENE DIIODIDE(ISOMER 1)
SpectraBase Compound ID IvTBjviLIEh
InChI InChI=1S/C46H41NP2S.2HI/c47-45-33-19-20-34-46(45)50-44(37-49(41-27-13-4-14-28-41,42-29-15-5-16-30-42)43-31-17-6-18-32-43)35-36-48(38-21-7-1-8-22-38,39-23-9-2-10-24-39)40-25-11-3-12-26-40;;/h1-35H,36-37,47H2;2*1H/q+2;;/p-2/b44-35-;;
InChIKey ZBUBDRRZNXFAGB-LSXCQZIFSA-L
Mol Weight 955.65747 g/mol
Molecular Formula C46H41I2NP2S
Exact Mass 955.052435 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LZXOqDEqafl
Name 1,4-BIS(TRIPHENYLPHOSPHONIO)-2-ORTHO-AMINOPHENYLTHIOBUT-2-ENE DIIODIDE(ISOMER 2)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C46H41I2NP2S
InChI InChI=1S/C46H41NP2S.2HI/c47-45-33-19-20-34-46(45)50-44(37-49(41-27-13-4-14-28-41,42-29-15-5-16-30-42)43-31-17-6-18-32-43)35-36-48(38-21-7-1-8-22-38,39-23-9-2-10-24-39)40-25-11-3-12-26-40;;/h1-35H,36-37,47H2;2*1H/q+2;;/p-2/b44-35-;;
InChIKey ZBUBDRRZNXFAGB-LSXCQZIFSA-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