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5-Nitro-2-(toluene-4-sulfonylmethyl)phenol
SpectraBase Compound ID 9BGyo54Ab98
InChI InChI=1S/C14H13NO5S/c1-10-2-6-13(7-3-10)21(19,20)9-11-4-5-12(15(17)18)8-14(11)16/h2-8,16H,9H2,1H3
InChIKey GVLPCBZEPVSBFI-UHFFFAOYSA-N
Mol Weight 307.32 g/mol
Molecular Formula C14H13NO5S
Exact Mass 307.051444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hZQoWhtyVu
Name 5-Nitro-2-(toluene-4-sulfonylmethyl)phenol
Alternate Name(s) 2-{[(4-methylphenyl)sulfonyl]methyl}-5-nitrophenol
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Formula C14H13NO5S
InChI InChI=1S/C14H13NO5S/c1-10-2-6-13(7-3-10)21(19,20)9-11-4-5-12(15(17)18)8-14(11)16/h2-8,16H,9H2,1H3
InChIKey GVLPCBZEPVSBFI-UHFFFAOYSA-N
Molecular Weight 307.320 g/mol
SMILES Oc1cc(N(=O)=O)ccc1CS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0udl-8901000000-c976233f2e4ca36c6415
Source of Spectrum F-53-4749-23
Wiley ID 801381