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3,3'-[biphenyl-4,4'-diylbis(oxy)]bis(1-heptylpyridinium) diiodide
SpectraBase Compound ID 1kOWUWyKd4g
InChI InChI=1S/C36H46N2O2.2HI/c1-3-5-7-9-11-25-37-27-13-15-35(29-37)39-33-21-17-31(18-22-33)32-19-23-34(24-20-32)40-36-16-14-28-38(30-36)26-12-10-8-6-4-2;;/h13-24,27-30H,3-12,25-26H2,1-2H3;2*1H/q+2;;/p-2
InChIKey COKPGQCYMQMZOZ-UHFFFAOYSA-L
Mol Weight 792.58495 g/mol
Molecular Formula C36H46I2N2O2
Exact Mass 792.164869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IszrMZyghP
Name 3,3'-[biphenyl-4,4'-diylbis(oxy)]bis(1-heptylpyridinium) diiodide
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 792.164868727 u
Formula C36H46I2N2O2
InChI InChI=1S/C36H46N2O2.2HI/c1-3-5-7-9-11-25-37-27-13-15-35(29-37)39-33-21-17-31(18-22-33)32-19-23-34(24-20-32)40-36-16-14-28-38(30-36)26-12-10-8-6-4-2;;/h13-24,27-30H,3-12,25-26H2,1-2H3;2*1H/q+2;;/p-2
InChIKey COKPGQCYMQMZOZ-UHFFFAOYSA-L
Instrument Name Finnigan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900319
Molecular Weight 792.585 g/mol
Quality 97
SMILES [I-].C1(=CC=C(C=C1)OC=1C=[N+](C=CC1)CCCCCCC)C1=CC=C(C=C1)OC=1C=[N+](C=CC1)CCCCCCC.[I-]
SPLASH splash10-0a6u-9001000000-0017bac0aacf0f01612a
Source of Spectrum K1-2019-SM4-2, 3BP4BO-7, I (DOI: 10.1002/ejoc.201900319)
Wiley ID 1891913