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1-(4-Methoxyphenyl)-4-(4-chlorohenyl)-2-methylthiopyrimidinium Iodide
SpectraBase Compound ID nunsz9ddbo
InChI InChI=1S/C18H16ClN2OS.HI/c1-22-16-9-7-15(8-10-16)21-12-11-17(20-18(21)23-2)13-3-5-14(19)6-4-13;/h3-12H,1-2H3;1H/q+1;/p-1
InChIKey LUNBRZYSWSGZQM-UHFFFAOYSA-M
Mol Weight 470.76 g/mol
Molecular Formula C18H16ClIN2OS
Exact Mass 469.971657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6c88lNoubl0
Name 1-(4-Methoxyphenyl)-4-(4-chlorohenyl)-2-methylthiopyrimidinium Iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16ClIN2OS
InChI InChI=1S/C18H16ClN2OS.HI/c1-22-16-9-7-15(8-10-16)21-12-11-17(20-18(21)23-2)13-3-5-14(19)6-4-13;/h3-12H,1-2H3;1H/q+1;/p-1
InChIKey LUNBRZYSWSGZQM-UHFFFAOYSA-M
Molecular Weight 470.756 g/mol
SMILES [I-].c1([n+](ccc(n1)-c1ccc(Cl)cc1)-c1ccc(OC)cc1)SC
SPLASH splash10-00ou-8902000000-f760bab9e809d2e0a959
Source of Spectrum Y-27-1443-4
Synonyms 4-(4-Chlorophenyl)-1-(4-methoxyphenyl)-2-(methylsulfanyl)pyrimidin-1-ium iodide
Wiley ID 1392718