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3,3'-[biphenyl-4,4'-diylbis(oxy)]bis(1-hexadecylpyridinium) dibromide
SpectraBase Compound ID 2T5yOa2FCMe
InChI InChI=1S/C54H82N2O2.2BrH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-43-55-45-31-33-53(47-55)57-51-39-35-49(36-40-51)50-37-41-52(42-38-50)58-54-34-32-46-56(48-54)44-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h31-42,45-48H,3-30,43-44H2,1-2H3;2*1H/q+2;;/p-2
InChIKey BSSHILRSFIHTDL-UHFFFAOYSA-L
Mol Weight 951.07 g/mol
Molecular Formula C54H82Br2N2O2
Exact Mass 948.474306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cg81lveGrfU
Name 3,3'-[biphenyl-4,4'-diylbis(oxy)]bis(1-hexadecylpyridinium) dibromide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 948.474305886 u
Formula C54H82Br2N2O2
InChI InChI=1S/C54H82N2O2.2BrH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-43-55-45-31-33-53(47-55)57-51-39-35-49(36-40-51)50-37-41-52(42-38-50)58-54-34-32-46-56(48-54)44-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h31-42,45-48H,3-30,43-44H2,1-2H3;2*1H/q+2;;/p-2
InChIKey BSSHILRSFIHTDL-UHFFFAOYSA-L
Instrument Name Finnigan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900319
Molecular Weight 951.070 g/mol
Quality 64
SMILES [Br-].C1(=CC=C(C=C1)OC=1C=[N+](C=CC1)CCCCCCCCCCCCCCCC)C1=CC=C(C=C1)OC=1C=[N+](C=CC1)CCCCCCCCCCCCCCCC.[Br-]
SPLASH splash10-0006-0209010000-0433348a2c6743b9c712
Source of Spectrum K1-2019-SM7-13, 3BP4BO-16, Br (DOI: 10.1002/ejoc.201900319)
Wiley ID 1891912