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2,2'-[[2-(Cyclododecylmethylamino)ethyl]imino]-bis[N,N,N-trimethylethanamium] diiodide
SpectraBase Compound ID 885Xsr6DVAm
InChI InChI=1S/C25H56N4.2HI/c1-26(25-17-15-13-11-9-8-10-12-14-16-18-25)19-20-27(21-23-28(2,3)4)22-24-29(5,6)7;;/h25H,8-24H2,1-7H3;2*1H/q+2;;/p-2
InChIKey PNFQZHWEWARACW-UHFFFAOYSA-L
Mol Weight 666.55995 g/mol
Molecular Formula C25H56I2N4
Exact Mass 666.259438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqeB3Ghsqbq
Name 2,2'-[[2-(Cyclododecylmethylamino)ethyl]imino]-bis[N,N,N-trimethylethanamium] diiodide
Alternate Name(s) 2-[2-[cyclododecyl(methyl)amino]ethyl-[2-(trimethylammonio)ethyl]amino]ethyl-trimethylammonium;diiodide 2-[2-[cyclododecyl(methyl)amino]ethyl-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethylazanium;diiodide 2-[2-[cyclododecyl(methyl)amino]ethyl-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethyl-azanium;diiodide
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Formula C25H56I2N4
InChI InChI=1S/C25H56N4.2HI/c1-26(25-17-15-13-11-9-8-10-12-14-16-18-25)19-20-27(21-23-28(2,3)4)22-24-29(5,6)7;;/h25H,8-24H2,1-7H3;2*1H/q+2;;/p-2
InChIKey PNFQZHWEWARACW-UHFFFAOYSA-L
Molecular Weight 666.560 g/mol
SMILES [I-].C([N+](C)(C)C)CN(CCN(C1CCCCCCCCCCC1)C)CC[N+](C)(C)C.[I-]
SPLASH splash10-059i-9074070000-a71455d3f46e0cafa4b8
Source of Spectrum E1-35-1243-25
Wiley ID 1574293