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3,3'-[biphenyl-4,4'-diylbis(oxy)]bis(1-undecylpyridinium) dibromide
SpectraBase Compound ID 92nmJtGWy0l
InChI InChI=1S/C44H62N2O2.2BrH/c1-3-5-7-9-11-13-15-17-19-33-45-35-21-23-43(37-45)47-41-29-25-39(26-30-41)40-27-31-42(32-28-40)48-44-24-22-36-46(38-44)34-20-18-16-14-12-10-8-6-4-2;;/h21-32,35-38H,3-20,33-34H2,1-2H3;2*1H/q+2;;/p-2
InChIKey XAPIZAYRYGJFDQ-UHFFFAOYSA-L
Mol Weight 810.8 g/mol
Molecular Formula C44H62Br2N2O2
Exact Mass 808.317805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5EVRKbUd3kd
Name 3,3'-[biphenyl-4,4'-diylbis(oxy)]bis(1-undecylpyridinium) dibromide
Appearance White solid
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Exact Mass 808.317805242 u
Formula C44H62Br2N2O2
InChI InChI=1S/C44H62N2O2.2BrH/c1-3-5-7-9-11-13-15-17-19-33-45-35-21-23-43(37-45)47-41-29-25-39(26-30-41)40-27-31-42(32-28-40)48-44-24-22-36-46(38-44)34-20-18-16-14-12-10-8-6-4-2;;/h21-32,35-38H,3-20,33-34H2,1-2H3;2*1H/q+2;;/p-2
InChIKey XAPIZAYRYGJFDQ-UHFFFAOYSA-L
Instrument Name Finnigan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900319
Molecular Weight 810.800 g/mol
Quality 78
SMILES [Br-].C1(=CC=C(C=C1)OC=1C=[N+](C=CC1)CCCCCCCCCCC)C1=CC=C(C=C1)OC=1C=[N+](C=CC1)CCCCCCCCCCC.[Br-]
SPLASH splash10-000f-9616000000-673c4bb8340cca83fa3c
Source of Spectrum K1-2019-SM6-9, 3BP4BO-11, Br (DOI: 10.1002/ejoc.201900319)
Wiley ID 1891920