John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9MmQTyIYI5n SpectraBase Spectrum ID=ESXzpdxpeMI

(accessed ).
[PDI(1-ETA-C-C6H3-[CH2NM2]2-3,5-PDI-4)-(PP3)2]
SpectraBase Compound ID 9MmQTyIYI5n
InChI InChI=1S/2C18H15P.C12H18N2.2HI.2Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(2)9-11-6-5-7-12(8-11)10-14(3)4;;;;/h2*1-15H;6-7H,9-10H2,1-4H3;2*1H;;/q;;;;;-1;+1
InChIKey LLJNFQWPLAVYCQ-UHFFFAOYSA-N
Mol Weight 1181.5 g/mol
Molecular Formula C48H48I2N2P2Pd2
Exact Mass 1179.945181 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ESXzpdxpeMI
Name [PDI(1-ETA-C-C6H3-[CH2NM2]2-3,5-PDI-4)-(PP3)2]
Compound Number 23
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H48I2N2P2Pd2
InChI InChI=1S/2C18H15P.C12H18N2.2HI.2Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(2)9-11-6-5-7-12(8-11)10-14(3)4;;;;/h2*1-15H;6-7H,9-10H2,1-4H3;2*1H;;/q;;;;;-1;+1
InChIKey LLJNFQWPLAVYCQ-UHFFFAOYSA-N
Literature Reference Author G.RODRIGUEZ,M.ALBRECHT,J.SCHOENMAKER,A.FORD,M.LUTZ,A.L.SPEK, G.V.KOTEN
Literature Reference Citation J.AM.CHEM.SOC.,124,5127(2002)
Literature Reference DOI 10.1021/ja0177657
Solvent CDCl3
Source File Reference UWLU49142
SpectraBase Batch ID KrsowkRpHtS