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N-(2-methylsulfanyl-4-phenyl-imidazol-1-yl)acetamide
SpectraBase Compound ID 8iuhz3EzMoy
InChI InChI=1S/C12H13N3OS/c1-9(16)14-15-8-11(13-12(15)17-2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,16)
InChIKey BXROBUJMUFHFPA-UHFFFAOYSA-N
Mol Weight 247.32 g/mol
Molecular Formula C12H13N3OS
Exact Mass 247.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrXQHJZGLbA
Name N-(2-methylsulfanyl-4-phenyl-imidazol-1-yl)acetamide
Alternate Name(s) N-(2-methylsulfanyl-4-phenyl-imidazol-1-yl)ethanamide N-[2-(methylthio)-4-phenyl-1-imidazolyl]acetamide N-[2-(methylthio)-4-phenyl-imidazol-1-yl]acetamide
CAS Registry Number 132397-44-5
Comments Less than 3 mono-isotopic peaks
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Formula C12H13N3OS
InChI InChI=1S/C12H13N3OS/c1-9(16)14-15-8-11(13-12(15)17-2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,16)
InChIKey BXROBUJMUFHFPA-UHFFFAOYSA-N
Molecular Weight 247.316 g/mol
SMILES N([n]1c(nc(c1)-c1ccccc1)SC)C(=O)C
SPLASH splash10-0002-0190000000-5ed67f1e78c3467efb3d
Source of Spectrum KC-1990-3087-14
Wiley ID 1249833