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3,3'-[biphenyl-4,4'-diylbis(oxy)]bis(1-dodecylpyridinium) diiodide
SpectraBase Compound ID 2Le2A5egQHo
InChI InChI=1S/C46H66N2O2.2HI/c1-3-5-7-9-11-13-15-17-19-21-35-47-37-23-25-45(39-47)49-43-31-27-41(28-32-43)42-29-33-44(34-30-42)50-46-26-24-38-48(40-46)36-22-20-18-16-14-12-10-8-6-4-2;;/h23-34,37-40H,3-22,35-36H2,1-2H3;2*1H/q+2;;/p-2
InChIKey WZYFHESQIUHMSM-UHFFFAOYSA-L
Mol Weight 932.85495 g/mol
Molecular Formula C46H66I2N2O2
Exact Mass 932.321369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9LQF1AZlkXm
Name 3,3'-[biphenyl-4,4'-diylbis(oxy)]bis(1-dodecylpyridinium) diiodide
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 932.321369371 u
Formula C46H66I2N2O2
InChI InChI=1S/C46H66N2O2.2HI/c1-3-5-7-9-11-13-15-17-19-21-35-47-37-23-25-45(39-47)49-43-31-27-41(28-32-43)42-29-33-44(34-30-42)50-46-26-24-38-48(40-46)36-22-20-18-16-14-12-10-8-6-4-2;;/h23-34,37-40H,3-22,35-36H2,1-2H3;2*1H/q+2;;/p-2
InChIKey WZYFHESQIUHMSM-UHFFFAOYSA-L
Instrument Name Finnigan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900319
Molecular Weight 932.855 g/mol
Quality 75
SMILES [I-].C1(=CC=C(C=C1)OC=1C=[N+](C=CC1)CCCCCCCCCCCC)C1=CC=C(C=C1)OC=1C=[N+](C=CC1)CCCCCCCCCCCC.[I-]
SPLASH splash10-0006-1009010000-301596b03bf1acf3b2d6
Source of Spectrum K1-2019-SM6-11, 3BP4BO-12, I (DOI: 10.1002/ejoc.201900319)
Wiley ID 1891910