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3,3'-[biphenyl-4,4'-diylbis(oxy)]bis(1-octylpyridinium) diiodide
SpectraBase Compound ID LTCznLA6yDh
InChI InChI=1S/C38H50N2O2.2HI/c1-3-5-7-9-11-13-27-39-29-15-17-37(31-39)41-35-23-19-33(20-24-35)34-21-25-36(26-22-34)42-38-18-16-30-40(32-38)28-14-12-10-8-6-4-2;;/h15-26,29-32H,3-14,27-28H2,1-2H3;2*1H/q+2;;/p-2
InChIKey HKKIASKCPLKDRQ-UHFFFAOYSA-L
Mol Weight 820.63895 g/mol
Molecular Formula C38H50I2N2O2
Exact Mass 820.196169 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6avqUmQaUsc
Name 3,3'-[biphenyl-4,4'-diylbis(oxy)]bis(1-octylpyridinium) diiodide
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H50I2N2O2
InChI InChI=1S/C38H50N2O2.2HI/c1-3-5-7-9-11-13-27-39-29-15-17-37(31-39)41-35-23-19-33(20-24-35)34-21-25-36(26-22-34)42-38-18-16-30-40(32-38)28-14-12-10-8-6-4-2;;/h15-26,29-32H,3-14,27-28H2,1-2H3;2*1H/q+2;;/p-2
InChIKey HKKIASKCPLKDRQ-UHFFFAOYSA-L
Instrument Name Finnigan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900319
Molecular Weight 820.639 g/mol
Quality 92
SMILES [I-].C1(=CC=C(C=C1)OC=1C=[N+](C=CC1)CCCCCCCC)C1=CC=C(C=C1)OC=1C=[N+](C=CC1)CCCCCCCC.[I-]
SPLASH splash10-00kf-5119000000-4f48a11251be9c7b1a70
Source of Spectrum K1-2019-SM4-4, 3BP4BO-8, I (DOI: 10.1002/ejoc.201900319)
Wiley ID 1891915