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3-(4-Chlorophenyl)-1-methyl-4-(methylthio)-2-phenyl-5-(phenylthio)imidazolium iodide
SpectraBase Compound ID 8zZ9yM3HvL
InChI InChI=1S/C23H20ClN2S2.HI/c1-25-21(17-9-5-3-6-10-17)26(19-15-13-18(24)14-16-19)23(27-2)22(25)28-20-11-7-4-8-12-20;/h3-16H,1-2H3;1H/q+1;/p-1
InChIKey LURDSSJOTMEZGS-UHFFFAOYSA-M
Mol Weight 550.9 g/mol
Molecular Formula C23H20ClIN2S2
Exact Mass 549.980114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID W3VkoWNSnP
Name 3-(4-Chlorophenyl)-1-methyl-4-(methylthio)-2-phenyl-5-(phenylthio)imidazolium iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20ClIN2S2
InChI InChI=1S/C23H20ClN2S2.HI/c1-25-21(17-9-5-3-6-10-17)26(19-15-13-18(24)14-16-19)23(27-2)22(25)28-20-11-7-4-8-12-20;/h3-16H,1-2H3;1H/q+1;/p-1
InChIKey LURDSSJOTMEZGS-UHFFFAOYSA-M
Molecular Weight 550.904 g/mol
SMILES [I-].c1(-c2ccccc2)[n+](C)c(Sc2ccccc2)c([n]1-c1ccc(cc1)Cl)SC
SPLASH splash10-0a4i-0601900000-a782820532400c00a989
Source of Spectrum HAC-11-23-5f
Synonyms 1-(4-Chlorophenyl)-3-methyl-5-(methylthio)-2-phenyl-4-(phenylthio)-1H-imidazol-3-ium iodide
Wiley ID 1783275