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3,3'-[biphenyl-4,4'-diylbis(oxy)]bis(1-nonylpyridinium) dibromide
SpectraBase Compound ID 3mQAtYfLqz5
InChI InChI=1S/C40H54N2O2.2BrH/c1-3-5-7-9-11-13-15-29-41-31-17-19-39(33-41)43-37-25-21-35(22-26-37)36-23-27-38(28-24-36)44-40-20-18-32-42(34-40)30-16-14-12-10-8-6-4-2;;/h17-28,31-34H,3-16,29-30H2,1-2H3;2*1H/q+2;;/p-2
InChIKey LHPQFKFJWLLDIC-UHFFFAOYSA-L
Mol Weight 754.7 g/mol
Molecular Formula C40H54Br2N2O2
Exact Mass 752.255205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBhn2L8bIip
Name 3,3'-[biphenyl-4,4'-diylbis(oxy)]bis(1-nonylpyridinium) dibromide
Appearance White solid
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Exact Mass 752.255204985 u
Formula C40H54Br2N2O2
InChI InChI=1S/C40H54N2O2.2BrH/c1-3-5-7-9-11-13-15-29-41-31-17-19-39(33-41)43-37-25-21-35(22-26-37)36-23-27-38(28-24-36)44-40-20-18-32-42(34-40)30-16-14-12-10-8-6-4-2;;/h17-28,31-34H,3-16,29-30H2,1-2H3;2*1H/q+2;;/p-2
InChIKey LHPQFKFJWLLDIC-UHFFFAOYSA-L
Instrument Name Finnigan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900319
Molecular Weight 754.692 g/mol
Quality 87
SMILES [Br-].[Br-].C1(=CC=C(C=C1)OC=1C=[N+](C=CC1)CCCCCCCCC)C1=CC=C(C=C1)OC=1C=[N+](C=CC1)CCCCCCCCC
SPLASH splash10-054x-9200000000-9a897c48ff74aa4b5d60
Source of Spectrum K1-2019-SM5-5, 3BP4BO-9, Br (DOI: 10.1002/ejoc.201900319)
Wiley ID 1891916