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LELJLPMCCRUBBL-UHFFFAOYSA-N

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LELJLPMCCRUBBL-UHFFFAOYSA-N
SpectraBase Compound ID Jgew4DB66SV
InChI InChI=1S/C46H70N4.2F6P/c1-11-15-19-41-42(20-16-12-2)48-30-36-24-38(28-40(26-36)46(8,9)10)32-50-34-49(43(21-17-13-3)44(50)22-18-14-4)31-37-23-35(29-47(41)33-48)25-39(27-37)45(5,6)7;2*1-7(2,3,4,5)6/h23-28,33-34H,11-22,29-32H2,1-10H3;;/q+2;2*-1
InChIKey LELJLPMCCRUBBL-UHFFFAOYSA-N
Mol Weight 969.02236196 g/mol
Molecular Formula C46H70F12N4P2
Exact Mass 968.48841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1UwKxxYAfEL
Name LELJLPMCCRUBBL-UHFFFAOYSA-N
Compound Number 4D.2PF6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H70F12N4P2
InChI InChI=1S/C46H70N4.2F6P/c1-11-15-19-41-42(20-16-12-2)48-30-36-24-38(28-40(26-36)46(8,9)10)32-50-34-49(43(21-17-13-3)44(50)22-18-14-4)31-37-23-35(29-47(41)33-48)25-39(27-37)45(5,6)7;2*1-7(2,3,4,5)6/h23-28,33-34H,11-22,29-32H2,1-10H3;;/q+2;2*-1
InChIKey LELJLPMCCRUBBL-UHFFFAOYSA-N
Literature Reference Author E.ALCALDE,N.MESQUIDA,L.PEREZ-GARCIA
Literature Reference Citation EUR.J.ORG.CHEM.,3988(2006)
Molecular Weight 969.017 g/mol
Sample ID 44767
Solvent DMSO-D6