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Nitromethyl p-tolyl sulfone
SpectraBase Compound ID 77Q9Xjbdzzh
InChI InChI=1S/C8H9NO4S/c1-7-2-4-8(5-3-7)14(12,13)6-9(10)11/h2-5H,6H2,1H3
InChIKey HXKBRXCBGUYTGS-UHFFFAOYSA-N
Mol Weight 215.22 g/mol
Molecular Formula C8H9NO4S
Exact Mass 215.025229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mTLboVlCKc
Name Nitromethyl p-tolyl sulfone
Alternate Name(s) 1-Methyl-4-[(nitromethyl)sulfonyl]benzene 4-Methylphenyl nitromethyl sulfone
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Formula C8H9NO4S
InChI InChI=1S/C8H9NO4S/c1-7-2-4-8(5-3-7)14(12,13)6-9(10)11/h2-5H,6H2,1H3
InChIKey HXKBRXCBGUYTGS-UHFFFAOYSA-N
Molecular Weight 215.223 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)N(=O)=O
SPLASH splash10-052f-9620000000-fadf7ae1fe32e4cae9c1
Source of Spectrum B-47-1641-0
Wiley ID 1214327