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4-Methyl-2-benzylsulfonylimidazole
SpectraBase Compound ID 3MeqiyGRCTx
InChI InChI=1S/C11H12N2O2S/c1-9-7-12-11(13-9)16(14,15)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,13)
InChIKey MQZULCDPMWCFCR-UHFFFAOYSA-N
Mol Weight 236.29 g/mol
Molecular Formula C11H12N2O2S
Exact Mass 236.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CATrXX7srGz
Name 4-Methyl-2-benzylsulfonylimidazole
Alternate Name(s) 2-(benzylsulfonyl)-4-methyl-1H-imidazole benzyl 4-methyl-1H-imidazol-2-yl sulfone
Comments Less than 3 mono-isotopic peaks
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Formula C11H12N2O2S
InChI InChI=1S/C11H12N2O2S/c1-9-7-12-11(13-9)16(14,15)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,13)
InChIKey MQZULCDPMWCFCR-UHFFFAOYSA-N
Molecular Weight 236.289 g/mol
SMILES [nH]1cc(nc1S(Cc1ccccc1)(=O)=O)C
SPLASH splash10-000i-0090000000-306913602d8b4fa6ac33
Source of Spectrum SO-0-1615-5
Wiley ID 876931