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(4S,5S)-2-TERT.-BUTYL-N,N,N',N'-TETRAKIS-[(4-METHOXYPHENYL)-METHYL]-N,N',2-TRIMETHYL-1,3-DIOXOLANE-4,5-DIMETHANAMMONIUM-DIIODIDE

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(4S,5S)-2-TERT.-BUTYL-N,N,N',N'-TETRAKIS-[(4-METHOXYPHENYL)-METHYL]-N,N',2-TRIMETHYL-1,3-DIOXOLANE-4,5-DIMETHANAMMONIUM-DIIODIDE
SpectraBase Compound ID E9R9Z8S3L1F
InChI InChI=1S/C44H60N2O6.2HI/c1-43(2,3)44(4)51-41(31-45(5,27-33-11-19-37(47-7)20-12-33)28-34-13-21-38(48-8)22-14-34)42(52-44)32-46(6,29-35-15-23-39(49-9)24-16-35)30-36-17-25-40(50-10)26-18-36;;/h11-26,41-42H,27-32H2,1-10H3;2*1H/q+2;;/p-2/t41-,42?,44?;;/m0../s1
InChIKey MLPLPMKXZJRMFD-HPPRNFIXSA-L
Mol Weight 966.78095 g/mol
Molecular Formula C44H60I2N2O6
Exact Mass 966.254078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lr8wY9S6y6j
Name (4S,5S)-2-TERT.-BUTYL-N,N,N',N'-TETRAKIS-[(4-METHOXYPHENYL)-METHYL]-N,N',2-TRIMETHYL-1,3-DIOXOLANE-4,5-DIMETHANAMMONIUM-DIIODIDE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H60I2N2O6
InChI InChI=1S/C44H60N2O6.2HI/c1-43(2,3)44(4)51-41(31-45(5,27-33-11-19-37(47-7)20-12-33)28-34-13-21-38(48-8)22-14-34)42(52-44)32-46(6,29-35-15-23-39(49-9)24-16-35)30-36-17-25-40(50-10)26-18-36;;/h11-26,41-42H,27-32H2,1-10H3;2*1H/q+2;;/p-2/t41-,42?,44?;;/m0../s1
InChIKey MLPLPMKXZJRMFD-HPPRNFIXSA-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 966.779 g/mol
Sample ID 50493
Solvent CDCl3