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O-[1-Methyl-4-(p-touenesulfinyl)butyl] 1H-imidazole-1-carbothioate
SpectraBase Compound ID AHWrczaKmoU
InChI InChI=1S/C16H20N2O2S2/c1-13-5-7-15(8-6-13)22(19)11-3-4-14(2)20-16(21)18-10-9-17-12-18/h5-10,12,14H,3-4,11H2,1-2H3
InChIKey ANECPKFBJBESFB-UHFFFAOYSA-N
Mol Weight 336.47 g/mol
Molecular Formula C16H20N2O2S2
Exact Mass 336.09662 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ex3ytPtXPDs
Name O-[1-Methyl-4-(p-touenesulfinyl)butyl] 1H-imidazole-1-carbothioate
Alternate Name(s) 1-imidazolecarbothioic acid O-[5-(4-methylphenyl)sulfinylpentan-2-yl] ester O-[1-methyl-4-(p-tolylsulfinyl)butyl] imidazole-1-carbothioate O-[5-(4-methylphenyl)sulfinylpentan-2-yl] imidazole-1-carbothioate
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Formula C16H20N2O2S2
InChI InChI=1S/C16H20N2O2S2/c1-13-5-7-15(8-6-13)22(19)11-3-4-14(2)20-16(21)18-10-9-17-12-18/h5-10,12,14H,3-4,11H2,1-2H3
InChIKey ANECPKFBJBESFB-UHFFFAOYSA-N
Molecular Weight 336.468 g/mol
SMILES C([n]1cncc1)(OC(CCCS(c1ccc(cc1)C)=O)C)=S
SPLASH splash10-014s-9500000000-686b8681e8473238eace
Source of Spectrum U1-2002-2756-52
Wiley ID 1522971