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1-(4-Bromophenyl)-4-(4-methylphenyl)-2-methylthiopyrimidinium Iodide
SpectraBase Compound ID CH7PPpZ6Hb6
InChI InChI=1S/C18H17BrN2S.HI/c1-13-3-5-14(6-4-13)17-11-12-21(18(20-17)22-2)16-9-7-15(19)8-10-16;/h3-11H,12H2,1-2H3;1H
InChIKey SVXJBSTVIDFLGC-UHFFFAOYSA-N
Mol Weight 501.22 g/mol
Molecular Formula C18H18BrIN2S
Exact Mass 499.941878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqFv78ZLPXM
Name 1-(4-Bromophenyl)-4-(4-methylphenyl)-2-methylthiopyrimidinium Iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18BrIN2S
InChI InChI=1S/C18H17BrN2S.HI/c1-13-3-5-14(6-4-13)17-11-12-21(18(20-17)22-2)16-9-7-15(19)8-10-16;/h3-11H,12H2,1-2H3;1H
InChIKey SVXJBSTVIDFLGC-UHFFFAOYSA-N
Molecular Weight 501.224 g/mol
SMILES [I-].[NH+]=1C(=CCN(C1SC)c1ccc(Br)cc1)c1ccc(C)cc1
SPLASH splash10-0a7i-5937000000-757750a4e8f60c8eab55
Source of Spectrum Y-27-1443-4
Synonyms 1-(4'-Bromophenyl)-6-(4'-methylphenyl)-2-methylpyrimidinium iodide
Wiley ID 1398781