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1-Phenylamino-4-(p-chlorophenyl)-2-methylthiopyrimidinium iodide
SpectraBase Compound ID GRLHmpDnpor
InChI InChI=1S/C17H15ClN3S.HI/c1-22-17-19-16(13-7-9-14(18)10-8-13)11-12-21(17)20-15-5-3-2-4-6-15;/h2-12,20H,1H3;1H/q+1;/p-1
InChIKey PEHYDDVJULLLLE-UHFFFAOYSA-M
Mol Weight 455.75 g/mol
Molecular Formula C17H15ClIN3S
Exact Mass 454.971991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CjXUZLOJ6F8
Name 1-Phenylamino-4-(p-chlorophenyl)-2-methylthiopyrimidinium iodide
Alternate Name(s) 1-Anilino-4-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidin-1-ium iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15ClIN3S
InChI InChI=1S/C17H15ClN3S.HI/c1-22-17-19-16(13-7-9-14(18)10-8-13)11-12-21(17)20-15-5-3-2-4-6-15;/h2-12,20H,1H3;1H/q+1;/p-1
InChIKey PEHYDDVJULLLLE-UHFFFAOYSA-M
Molecular Weight 455.745 g/mol
SMILES [I-].N([n+]1c(nc(cc1)-c1ccc(Cl)cc1)SC)c1ccccc1
SPLASH splash10-0573-6930000000-930fee4c6b74fd46a1d0
Source of Spectrum AH-120-755-3
Wiley ID 1388977