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3,3'-[biphenyl-4,4'-diylbis(oxy)]bis(1-decylpyridinium) diiodide
SpectraBase Compound ID 1CYSG7yZnan
InChI InChI=1S/C42H58N2O2.2HI/c1-3-5-7-9-11-13-15-17-31-43-33-19-21-41(35-43)45-39-27-23-37(24-28-39)38-25-29-40(30-26-38)46-42-22-20-34-44(36-42)32-18-16-14-12-10-8-6-4-2;;/h19-30,33-36H,3-18,31-32H2,1-2H3;2*1H/q+2;;/p-2
InChIKey SLOPQMFJGRXKEY-UHFFFAOYSA-L
Mol Weight 876.74695 g/mol
Molecular Formula C42H58I2N2O2
Exact Mass 876.258769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRFWZME1PEt
Name 3,3'-[biphenyl-4,4'-diylbis(oxy)]bis(1-decylpyridinium) diiodide
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 876.258769114 u
Formula C42H58I2N2O2
InChI InChI=1S/C42H58N2O2.2HI/c1-3-5-7-9-11-13-15-17-31-43-33-19-21-41(35-43)45-39-27-23-37(24-28-39)38-25-29-40(30-26-38)46-42-22-20-34-44(36-42)32-18-16-14-12-10-8-6-4-2;;/h19-30,33-36H,3-18,31-32H2,1-2H3;2*1H/q+2;;/p-2
InChIKey SLOPQMFJGRXKEY-UHFFFAOYSA-L
Instrument Name Finnigan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900319
Molecular Weight 876.747 g/mol
Quality 74
SMILES [I-].C1(=CC=C(C=C1)OC=1C=[N+](C=CC1)CCCCCCCCCC)C1=CC=C(C=C1)OC=1C=[N+](C=CC1)CCCCCCCCCC.[I-]
SPLASH splash10-01ox-0279000000-145fbef7778b332b934a
Source of Spectrum K1-2019-SM5-8, 3BP4BO-10, I (DOI: 10.1002/ejoc.201900319)
Wiley ID 1891919