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1-(methylsulfonyl)-3-nitrobenzene
SpectraBase Compound ID D6i7YhMNO3G
InChI InChI=1S/C7H7NO4S/c1-13(11,12)7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
InChIKey FTJMAAWQEAOBBI-UHFFFAOYSA-N
Mol Weight 201.2 g/mol
Molecular Formula C7H7NO4S
Exact Mass 201.009579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25tDjrAbkIK
Name 1-(methylsulfonyl)-3-nitrobenzene
Alternate Name(s) 1-Mesyl-3-nitro-benzene 1-Methylsulfonyl-3-nitrobenzene 3-Nitrophenyl Methyl Sulfone 1-Methylsulfonyl-3-nitro-benzene
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Formula C7H7NO4S
InChI InChI=1S/C7H7NO4S/c1-13(11,12)7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
InChIKey FTJMAAWQEAOBBI-UHFFFAOYSA-N
Molecular Weight 201.196 g/mol
SMILES c1(S(=O)(=O)C)cc(N(=O)=O)ccc1
SPLASH splash10-000i-0910000000-6feebd278c782e39ea79
Source of Spectrum F5-6-759-E--3
Wiley ID 1733409