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(2-methyl-1-nitro-propan-2-yl)sulfanylmethylbenzene
SpectraBase Compound ID JCOsH70shjp
InChI InChI=1S/C11H15NO2S/c1-11(2,9-12(13)14)15-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey CXWMWQUHMRIALL-UHFFFAOYSA-N
Mol Weight 225.31 g/mol
Molecular Formula C11H15NO2S
Exact Mass 225.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2bk7vySQs4
Name (2-methyl-1-nitro-propan-2-yl)sulfanylmethylbenzene
Alternate Name(s) [(1,1-dimethyl-2-nitro-ethyl)thio]methylbenzene [(2-methyl-1-nitropropan-2-yl)thio]methylbenzene (2-methyl-1-nitropropan-2-yl)sulfanylmethylbenzene
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Formula C11H15NO2S
InChI InChI=1S/C11H15NO2S/c1-11(2,9-12(13)14)15-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey CXWMWQUHMRIALL-UHFFFAOYSA-N
Molecular Weight 225.306 g/mol
SMILES CC(C)(CN(=O)=O)SCc1ccccc1
SPLASH splash10-0006-9000000000-959a20ac08f0f6a3704d
Source of Spectrum J-66-1988-8
Wiley ID 1534764