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(4S,5S)-N,N'-DIETHYL-N,N,N',N'-TETRAKIS-[(4-METHYLPHENYL)-METHYL]-2,2-DIPROPYL-1,3-DIOXOLANE-4,5-DIMETHANAMINIUM-DIIODIDE

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(4S,5S)-N,N'-DIETHYL-N,N,N',N'-TETRAKIS-[(4-METHYLPHENYL)-METHYL]-2,2-DIPROPYL-1,3-DIOXOLANE-4,5-DIMETHANAMINIUM-DIIODIDE
SpectraBase Compound ID LT6Ygvlc79B
InChI InChI=1S/C45H62N2O2.2HI/c1-9-27-45(28-10-2)48-43(33-46(7,29-39-19-11-35(3)12-20-39)30-40-21-13-36(4)14-22-40)44(49-45)34-47(8,31-41-23-15-37(5)16-24-41)32-42-25-17-38(6)18-26-42;;/h11-26,43-44H,9-10,27-34H2,1-8H3;2*1H/q+2;;/p-2/t43-,44-;;/m0../s1
InChIKey AFCDCBXECOLLMS-OWRGXFNZSA-L
Mol Weight 916.81195 g/mol
Molecular Formula C45H62I2N2O2
Exact Mass 916.290069 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LnULPcZ8pmb
Name (4S,5S)-N,N'-DIETHYL-N,N,N',N'-TETRAKIS-[(4-METHYLPHENYL)-METHYL]-2,2-DIPROPYL-1,3-DIOXOLANE-4,5-DIMETHANAMINIUM-DIIODIDE
Compound Number 2B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H62I2N2O2
InChI InChI=1S/C45H62N2O2.2HI/c1-9-27-45(28-10-2)48-43(33-46(7,29-39-19-11-35(3)12-20-39)30-40-21-13-36(4)14-22-40)44(49-45)34-47(8,31-41-23-15-37(5)16-24-41)32-42-25-17-38(6)18-26-42;;/h11-26,43-44H,9-10,27-34H2,1-8H3;2*1H/q+2;;/p-2/t43-,44-;;/m0../s1
InChIKey AFCDCBXECOLLMS-OWRGXFNZSA-L
Literature Reference Author T.OHSHIMA.V.GNANADESIKAN,T.SHIBUGUCHHI,Y.FUKUTA,T.NEMOTO,M.S HIBASAKI
Literature Reference Citation J.AM.CHEM.SOC.,125,11206(2003)
Literature Reference DOI 10.1021/ja037290e
Molecular Weight 916.808 g/mol
Sample ID 50495
Solvent CDCl3