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(2-methyl-1-nitro-propan-2-yl)sulfanylbenzene
SpectraBase Compound ID 4FwnEiafSj3
InChI InChI=1S/C10H13NO2S/c1-10(2,8-11(12)13)14-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey CJKMGXVKNTZJDR-UHFFFAOYSA-N
Mol Weight 211.28 g/mol
Molecular Formula C10H13NO2S
Exact Mass 211.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPIzjwOkbTu
Name (2-methyl-1-nitro-propan-2-yl)sulfanylbenzene
Alternate Name(s) [(1,1-dimethyl-2-nitro-ethyl)thio]benzene [(2-methyl-1-nitropropan-2-yl)thio]benzene (2-methyl-1-nitropropan-2-yl)sulfanylbenzene
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Formula C10H13NO2S
InChI InChI=1S/C10H13NO2S/c1-10(2,8-11(12)13)14-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey CJKMGXVKNTZJDR-UHFFFAOYSA-N
Molecular Weight 211.279 g/mol
SMILES C(C(C)(Sc1ccccc1)C)N(=O)=O
SPLASH splash10-03di-0900000000-1fcafe804425ff7f8a8b
Source of Spectrum J-66-1988-7
Wiley ID 1534776