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2,2'-[1",3"-(Diethoxycarbonyl)-1",3"-propylene-bis(1-methylpyridinium)]-diiodide
SpectraBase Compound ID C4JYk1MrT2a
InChI InChI=1S/C21H28N2O4.2HI/c1-5-26-20(24)16(18-11-7-9-13-22(18)3)15-17(21(25)27-6-2)19-12-8-10-14-23(19)4;;/h7-14,16-17H,5-6,15H2,1-4H3;2*1H/q+2;;/p-2
InChIKey OEFKOKHVSRPSOW-UHFFFAOYSA-L
Mol Weight 626.27395 g/mol
Molecular Formula C21H28I2N2O4
Exact Mass 626.013847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5xzyS9bFC5
Name 2,2'-[1",3"-(Diethoxycarbonyl)-1",3"-propylene-bis(1-methylpyridinium)]-diiodide
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Formula C21H28I2N2O4
InChI InChI=1S/C21H28N2O4.2HI/c1-5-26-20(24)16(18-11-7-9-13-22(18)3)15-17(21(25)27-6-2)19-12-8-10-14-23(19)4;;/h7-14,16-17H,5-6,15H2,1-4H3;2*1H/q+2;;/p-2
InChIKey OEFKOKHVSRPSOW-UHFFFAOYSA-L
Molecular Weight 626.274 g/mol
SMILES [I-].C(CC(c1[n+](C)cccc1)C(=O)OCC)(c1[n+](C)cccc1)C(=O)OCC.[I-]
SPLASH splash10-004l-2900000000-3ee3bdf8ad4ae13d24d2
Source of Spectrum D8-327-453-20
Wiley ID 1515316