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THREEMETHYLENE-1,3-BIS-(N,N-DIMETHYL-N-DODECYLDODECYL-AMMONIUM-BROMIDE)
SpectraBase Compound ID AUeIX9NufL3
InChI InChI=1S/C31H68N2.2BrH/c1-7-9-11-13-15-17-19-21-23-25-28-32(3,4)30-27-31-33(5,6)29-26-24-22-20-18-16-14-12-10-8-2;;/h7-31H2,1-6H3;2*1H/q+2;;/p-2
InChIKey NIKXONOSPUGUBT-UHFFFAOYSA-L
Mol Weight 628.707 g/mol
Molecular Formula C31H68Br2N2
Exact Mass 626.374926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E3Wek9Qlrmo
Name THREEMETHYLENE-1,3-BIS-(N,N-DIMETHYL-N-DODECYLDODECYL-AMMONIUM-BROMIDE)
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H68Br2N2
InChI InChI=1S/C31H68N2.2BrH/c1-7-9-11-13-15-17-19-21-23-25-28-32(3,4)30-27-31-33(5,6)29-26-24-22-20-18-16-14-12-10-8-2;;/h7-31H2,1-6H3;2*1H/q+2;;/p-2
InChIKey NIKXONOSPUGUBT-UHFFFAOYSA-L
Literature Reference Author B.BRYCKI,I.KOWALCZYK,A.KOZIROG
Literature Reference Citation MOLECULES,16,319(2011)
Literature Reference DOI 10.3390/molecules16010319
Molecular Weight 628.702 g/mol
Sample ID 72829
Solvent CDCl3