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N-(4-Chlorobenzoyl)-4,5-dimethylisothiazolium-2-imine
SpectraBase Compound ID LYUxKqaz27N
InChI InChI=1S/C12H11ClN2OS/c1-8-7-15(17-9(8)2)14-12(16)10-3-5-11(13)6-4-10/h3-7H,1-2H3
InChIKey KOTFMVVYQJMYRB-UHFFFAOYSA-N
Mol Weight 266.75 g/mol
Molecular Formula C12H11ClN2OS
Exact Mass 266.028062 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdYv9luRNP4
Name N-(4-Chlorobenzoyl)-4,5-dimethylisothiazolium-2-imine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11ClN2OS
InChI InChI=1S/C12H11ClN2OS/c1-8-7-15(17-9(8)2)14-12(16)10-3-5-11(13)6-4-10/h3-7H,1-2H3
InChIKey KOTFMVVYQJMYRB-UHFFFAOYSA-N
Molecular Weight 266.746 g/mol
SMILES C([N-][n+]1sc(C)c(c1)C)(c1ccc(cc1)Cl)=O
SPLASH splash10-000i-0920000000-da550fc5ee54a38ef82e
Source of Spectrum O1-65-2712-5
Synonyms 2-[(4-chlorophenyl)carbonylazanidyl]-4,5-dimethyl-1,2-thiazol-2-ium
Wiley ID 1593331