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(4-chlorophenyl)-[2,2-dimethyl-5-(methylthio)imidazol-4-yl]methanone
SpectraBase Compound ID Lqwd54GZhGC
InChI InChI=1S/C13H13ClN2OS/c1-13(2)15-10(12(16-13)18-3)11(17)8-4-6-9(14)7-5-8/h4-7H,1-3H3
InChIKey XLDHMVPKLSQBDJ-UHFFFAOYSA-N
Mol Weight 280.77 g/mol
Molecular Formula C13H13ClN2OS
Exact Mass 280.043712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9az0H3yWHR
Name (4-chlorophenyl)-(2,2-dimethyl-5-methylsulfanyl-imidazol-4-yl)methanone
Alternate Name(s) (4-chlorophenyl)-[2,2-dimethyl-5-(methylthio)-4-imidazolyl]methanone (4-chlorophenyl)-[2,2-dimethyl-5-(methylthio)imidazol-4-yl]methanone
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Formula C13H13ClN2OS
InChI InChI=1S/C13H13ClN2OS/c1-13(2)15-10(12(16-13)18-3)11(17)8-4-6-9(14)7-5-8/h4-7H,1-3H3
InChIKey XLDHMVPKLSQBDJ-UHFFFAOYSA-N
Molecular Weight 280.773 g/mol
SMILES C1(N=C(C(=N1)SC)C(c1ccc(cc1)Cl)=O)(C)C
SPLASH splash10-001f-0940000000-1e2b7835e72ff403e45f
Source of Spectrum SO-0-549-3
Wiley ID 1539419