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1-Acetylamino-4-(p-tolyl)-2-methylthiopyrimidinium iodide
SpectraBase Compound ID B3m5ScCw5CE
InChI InChI=1S/C14H15N3OS.HI/c1-10-4-6-12(7-5-10)13-8-9-17(16-11(2)18)14(15-13)19-3;/h4-9H,1-3H3;1H
InChIKey WXOJCZONLRBMJZ-UHFFFAOYSA-N
Mol Weight 401.27 g/mol
Molecular Formula C14H16IN3OS
Exact Mass 401.005878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3Jo9t72ayf
Name 1-Acetylamino-4-(p-tolyl)-2-methylthiopyrimidinium iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16IN3OS
InChI InChI=1S/C14H15N3OS.HI/c1-10-4-6-12(7-5-10)13-8-9-17(16-11(2)18)14(15-13)19-3;/h4-9H,1-3H3;1H
InChIKey WXOJCZONLRBMJZ-UHFFFAOYSA-N
Molecular Weight 401.266 g/mol
SMILES [I-].N([n+]1c(nc(cc1)-c1ccc(C)cc1)SC)C(=O)C
SPLASH splash10-002g-4940000000-02977536d80de33644f0
Source of Spectrum AH-120-754-3
Synonyms 1-(acetylamino)-4-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-1-ium iodide
Wiley ID 1369877